| SpectraBase Spectrum ID |
GpOJejXwb7Z |
| Name |
Benzamide, N-(5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(A)heptalen-7-yl)-, (S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
477.160994142 u |
| Formula |
C27H27NO5S |
| InChI |
InChI=1S/C27H27NO5S/c1-31-22-14-17-10-12-20(28-27(30)16-8-6-5-7-9-16)19-15-21(29)23(34-4)13-11-18(19)24(17)26(33-3)25(22)32-2/h5-9,11,13-15,20H,10,12H2,1-4H3,(H,28,30) |
| InChIKey |
AHNUEGAJJOXHHL-UHFFFAOYSA-N |
| Molecular Weight |
477.575 g/mol |
| SMILES |
C12=C(CCC(C=3C2=CC=C(C(C3)=O)SC)NC(=O)C2=CC=CC=C2)C=C(C(=C1OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870192 |
