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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 Speclib	expt-1 dkfz spektren database	Prediction 2 acd_lotusv7	Prediction 3 hose_lotusv7
1	S	175.2		175.39	175.2	174.55	175.27
2	D	62.4		62.41	62.0	62.1	62.29
3	T	30.3		30.13	29.9	30.05	30.13
4	T	25.0		24.87	24.6	24.7	24.84
5	T	47.4		47.82	46.9	46.8	47.42

Spectral Data

Additional Data

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Type: 13C Unreported

Atom	Mult.(coupling const.)	Meas. Shift	Intensity		expt-0 Speclib	expt-1	Prediction 2 acd_lotusv7	Prediction 3 hose_lotusv7
1	S	175.2	0.288		175.39	175.2	174.55	175.27
2	D	62.0	1.0		62.41	62.4	62.1	62.29
3	T	29.9	0.931		30.13	30.3	30.05	30.13
4	T	24.6	0.86		24.87	25.0	24.7	24.84
5	T	46.9	0.937		47.82	47.4	46.8	47.42

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Meas. Shift		expt-0 dkfz spektren database	expt-1	Prediction 2 acd_lotusv7	Prediction 3 hose_lotusv7
1	S	175.39		175.2	175.2	174.55	175.27
2	D	62.41		62.0	62.4	62.1	62.29
3	T	30.13		29.9	30.3	30.05	30.13
4	T	24.87		24.6	25.0	24.7	24.84
5	T	47.82		46.9	47.4	46.8	47.42

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift		expt-0 Speclib	expt-1 dkfz spektren database	expt-2	Prediction 3 hose_lotusv7
1	S	174.55		175.39	175.2	175.2	175.27
2	D	62.10		62.41	62.0	62.4	62.29
3	T	30.05		30.13	29.9	30.3	30.13
4	T	24.70		24.87	24.6	25.0	24.84
5	T	46.80		47.82	46.9	47.4	47.42

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift		expt-0 Speclib	expt-1 dkfz spektren database	expt-2	Prediction 3 acd_lotusv7
1	S	175.27		175.39	175.2	175.2	174.55
2	D	62.29		62.41	62.0	62.4	62.1
3	T	30.13		30.13	29.9	30.3	30.05
4	T	24.84		24.87	24.6	25.0	24.7
5	T	47.42		47.82	46.9	47.4	46.8

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