| SpectraBase Spectrum ID |
A7gKVDkeqPi |
| Name |
Benzenecarbothioic acid, S-(hexahydro-1-hydroxy-1H-pyrrolizin-2-yl) ester, (1.alpha.,2.beta.,7A.beta.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.097999963 u |
| Formula |
C14H17NO2S |
| InChI |
InChI=1S/C14H17NO2S/c16-13-11-7-4-8-15(11)9-12(13)18-14(17)10-5-2-1-3-6-10/h1-3,5-6,11-13,16H,4,7-9H2/t11-,12+,13+/m1/s1 |
| InChIKey |
FDJGMFNZRBWEDC-AGIUHOORSA-N |
| Molecular Weight |
263.355 g/mol |
| SMILES |
[C@@]1([C@]([C@]2(CCCN2C1)[H])(O)[H])(SC(=O)C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90511 |
