| SpectraBase Spectrum ID |
I1jVDydhQ5J |
| Name |
4-Benzyl-3-methyl-5-oxo-2,3,4,5,6,7-hexahydro-1,4-thiazepin-3-(N-cyclohexylcarboxamide) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.187149322 u |
| Formula |
C20H28N2O2S |
| InChI |
InChI=1S/C20H28N2O2S/c1-20(19(24)21-17-10-6-3-7-11-17)15-25-13-12-18(23)22(20)14-16-8-4-2-5-9-16/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3,(H,21,24) |
| InChIKey |
ZDYFWYQLXRZJAC-UHFFFAOYSA-N |
| Molecular Weight |
360.516 g/mol |
| SMILES |
C1(N(C(CCSC1)=O)CC1=CC=CC=C1)(C(NC1CCCCC1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892727 |
