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Details

Spectral Data

Additional Data

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Type: 13C Unreported

Atom	Mult.(coupling const.)	Meas. Shift		Prediction 0 acd_lotusv7	Prediction 1 hose_lotusv7
1	D	104.9		104.93	104.9
2	S	152.0		152.03	152.0
3	S	149.7		149.63	149.7
4	D	103.8		103.83	103.8
5	S	122.5		122.53	122.5
6	S	133.0		133.03	133.0
7	S	157.4		157.43	157.4
9	D	140.6		140.63	140.6
10	D	118.3		118.33	118.3
11	T	42.0		41.97	42.0
12	S	131.9		131.93	131.9
13	D	111.5		111.57	111.5
14	S	148.6		148.67	148.6
15	S	147.0		147.1	148.1
16	D	110.5		110.67	110.5
17	D	120.1		120.13	120.1

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift		expt-0 ocmainz inhouse-2	Prediction 1 hose_lotusv7
1	D	104.93		104.9	104.9
2	S	152.03		152.0	152.0
3	S	149.63		149.7	149.7
4	D	103.83		103.8	103.8
5	S	122.53		122.5	122.5
6	S	133.03		133.0	133.0
7	S	157.43		157.4	157.4
9	D	140.63		140.6	140.6
10	D	118.33		118.3	118.3
11	T	41.97		42.0	42.0
12	S	131.93		131.9	131.9
13	D	111.57		111.5	111.5
14	S	148.67		148.6	148.6
15	S	147.10		147.0	148.1
16	D	110.67		110.5	110.5
17	D	120.13		120.1	120.1
19	Q	55.50		56.34
21	Q	55.50		56.3
23	Q	55.50		55.77
25	Q	55.50		55.6

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift		expt-0 ocmainz inhouse-2	Prediction 1 acd_lotusv7
1	D	104.90		104.9	104.93
2	S	152.00		152.0	152.03
3	S	149.70		149.7	149.63
4	D	103.80		103.8	103.83
5	S	122.50		122.5	122.53
6	S	133.00		133.0	133.03
7	S	157.40		157.4	157.43
9	D	140.60		140.6	140.63
10	D	118.30		118.3	118.33
11	T	42.00		42.0	41.97
12	S	131.90		131.9	131.93
13	D	111.50		111.5	111.57
14	S	148.60		148.6	148.67
15	S	148.10		147.0	147.1
16	D	110.50		110.5	110.67
17	D	120.10		120.1	120.13
19	Q	56.34		55.5
21	Q	56.30		55.5
23	Q	55.77		55.5
25	Q	55.60		55.5

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nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 68 users, 4698614 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2019.