| SpectraBase Spectrum ID |
KF6COfbVTaO |
| Name |
3-[3',4'-(Methylenedioxy)phenyl]-4H-benzopyran-4-one - 7-o-thiocarbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.067093756 u |
| Formula |
C19H15NO5S |
| InChI |
InChI=1S/C19H15NO5S/c1-20(2)19(26)25-12-4-5-13-16(8-12)22-9-14(18(13)21)11-3-6-15-17(7-11)24-10-23-15/h3-9H,10H2,1-2H3 |
| InChIKey |
DTXPCUVTXMQNAB-UHFFFAOYSA-N |
| Molecular Weight |
369.391 g/mol |
| SMILES |
C=1(C(C2=CC=C(OC(=S)N(C)C)C=C2OC1)=O)C1=CC=2OCOC2C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832449 |
![3-[3',4'-(Methylenedioxy)phenyl]-4H-benzopyran-4-one - 7-o-thiocarbamate](/api/spectrum/KF6COfbVTaO/structure.png?h=300&w=458 "3-[3',4'-(Methylenedioxy)phenyl]-4H-benzopyran-4-one - 7-o-thiocarbamate")
