| SpectraBase Spectrum ID |
CKk8Uw53ALQ |
| Name |
3-Chloro-N-{8',9B'beta-dimethyl-1',4',4A'beta,9B'-tetrahydrospiro[1,3-dithiolane-2,3'(2'H)-dibenzofuran]-4'A-yl}propionamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.093699063 u |
| Formula |
C19H24ClNO2S2 |
| InChI |
InChI=1S/C19H24ClNO2S2/c1-12-3-4-14-13(11-12)18(2)6-7-19(24-9-10-25-19)16(17(18)23-14)21-15(22)5-8-20/h3-4,11,16-17H,5-10H2,1-2H3,(H,21,22)/t16-,17+,18+/m0/s1 |
| InChIKey |
AXGVSGAGWSYDEE-RCCFBDPRSA-N |
| Molecular Weight |
397.979 g/mol |
| SMILES |
N([C@]1([C@]2(OC=3C=CC(=CC3[C@]2(CCC11SCCS1)C)C)[H])[H])C(CCCl)=O |
| Spectrum/Structure Validation Score (Raman) |
0.946883 |
![3-CHLORO-N-{8',9b'beta-DIMETHYL-1',4',4a'beta,9b'-TETRAHYDROSPIRO[1,3-DITHIOLANE-2,3'(2'H)-DIBENZOFURAN]-4'alpha-YL}PROPIONAMIDE](/api/spectrum/CKk8Uw53ALQ/structure.png?h=300&w=458 "3-CHLORO-N-{8',9b'beta-DIMETHYL-1',4',4a'beta,9b'-TETRAHYDROSPIRO[1,3-DITHIOLANE-2,3'(2'H)-DIBENZOFURAN]-4'alpha-YL}PROPIONAMIDE")
