| SpectraBase Spectrum ID |
36E32s0vi2c |
| Name |
3'-Chloro-3,4-dihydro-4-methyl-3-oxo-4'-vinyl-1,4-benzothiazine-2-spiro-1'-cyclopentane-3'-carbaldehyde isomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.097999963 u |
| Formula |
C16H17NO2S |
| InChI |
InChI=1S/C16H17NO2S/c1-3-11-8-16(9-12(11)10-18)15(19)17(2)13-6-4-5-7-14(13)20-16/h3-7,10-12H,1,8-9H2,2H3 |
| InChIKey |
NOLAZWAFZGQOFJ-UHFFFAOYSA-N |
| SMILES |
C12(C(N(C)C=3C(S2)=CC=CC3)=O)CC(C=C)C(C1)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855426 |
