SpectraBase Spectrum ID |
1OPyCgJsHre |
Name |
2H-1-Benzopyran-2-one, 3-[(2,3-dihydro-2-methyl-1H-indol-1-yl)carbonyl]-6-methoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
335.115758027 u |
Formula |
C20H17NO4 |
InChI |
InChI=1S/C20H17NO4/c1-12-9-13-5-3-4-6-17(13)21(12)19(22)16-11-14-10-15(24-2)7-8-18(14)25-20(16)23/h3-8,10-12H,9H2,1-2H3 |
InChIKey |
OOIZEASHHBZHNA-UHFFFAOYSA-N |
Molecular Weight |
335.359 g/mol |
SMILES |
C=1(C(N2C(CC=3C2=CC=CC3)C)=O)C(OC=2C(C1)=CC(OC)=CC2)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92295 |