SpectraBase Spectrum ID |
5a1SNoeXsIz |
Name |
2-Benzoylcarbonyloxy-1-methoxyindan |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
296.104858991 u |
Formula |
C18H16O4 |
InChI |
InChI=1S/C18H16O4/c1-21-17-14-10-6-5-9-13(14)11-15(17)22-18(20)16(19)12-7-3-2-4-8-12/h2-10,15,17H,11H2,1H3 |
InChIKey |
XGFAPFQEBKIQQH-UHFFFAOYSA-N |
SMILES |
C(OC1C(C=2C=CC=CC2C1)OC)(C(=O)C1=CC=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97108 |