| SpectraBase Spectrum ID |
C6yDT1CV0LT |
| Name |
Mbnm-A (CS2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.124214711 u |
| Formula |
C19H21NO3S |
| InChI |
InChI=1S/C19H21NO3S/c1-14(20-13-24)9-16-10-18(22-3)19(11-17(16)21-2)23-12-15-7-5-4-6-8-15/h4-8,10-11,14H,9,12H2,1-3H3 |
| InChIKey |
FFNBICBNBNTFBU-UHFFFAOYSA-N |
| Molecular Weight |
343.441 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)CC(N=C=S)C)OC)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941177 |
