| SpectraBase Spectrum ID |
JMt9AOKPlJE |
| Name |
7-oxo-7H-Benzocycloheptene-6-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.062994179 u |
| Formula |
C13H10O3 |
| InChI |
InChI=1S/C13H10O3/c1-16-13(15)11-8-10-5-3-2-4-9(10)6-7-12(11)14/h2-8H,1H3 |
| InChIKey |
RDPVOYYKFZKJKJ-UHFFFAOYSA-N |
| Molecular Weight |
214.220 g/mol |
| SMILES |
C1(=CC=2C(=CC=CC2)C=CC1=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93599 |
