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Details

This molecule with some stereoconfiguration:

Spectral Data

Additional Data

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Type: 13C Unreported

Atom	Mult.(coupling const.)	Meas. Shift		expt-0 dkfz spektren database	expt-1 Speclib	Prediction 2 acd_lotusv7	Prediction 3 hose_lotusv7
1	S	173.1		173.5	173.55	174.4	173.37
2	D	57.4		57.3	57.47	57.7	57.4
3	T	61.3		61.2	61.4	61.9	61.31

Spectral Data

Additional Data

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Type: 13C Unreported

Atom	Mult.(coupling const.)	Meas. Shift		expt-0 dkfz spektren database	expt-1	Prediction 2 acd_lotusv7	Prediction 3 hose_lotusv7
1	S	173.55		173.5	173.1	174.4	173.37
2	D	57.47		57.3	57.4	57.7	57.4
3	T	61.40		61.2	61.3	61.9	61.31

Spectral Data

Additional Data

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Type: 13C Unreported

Atom	Mult.(coupling const.)	Meas. Shift	Intensity		expt-0	expt-1 Speclib	Prediction 2 acd_lotusv7	Prediction 3 hose_lotusv7
1	S	173.5	0.321		173.1	173.55	174.4	173.37
2	D	57.3	0.786		57.4	57.47	57.7	57.4
3	T	61.2	1.0		61.3	61.4	61.9	61.31

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift		expt-0 dkfz spektren database	expt-1	expt-2 Speclib	Prediction 3 hose_lotusv7
1	S	174.4		173.5	173.1	173.55	173.37
2	D	57.7		57.3	57.4	57.47	57.4
3	T	61.9		61.2	61.3	61.4	61.31

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift		expt-0 dkfz spektren database	expt-1	expt-2 Speclib	Prediction 3 acd_lotusv7
1	S	173.37		173.5	173.1	173.55	174.4
2	D	57.40		57.3	57.4	57.47	57.7
3	T	61.31		61.2	61.3	61.4	61.9

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