| SpectraBase Spectrum ID |
8Asnw68rHsb |
| Name |
Propanedioic acid, [(7-phenyl-1,6-cycloheptadien-1-yl)methyl]-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.183109313 u |
| Formula |
C21H26O4 |
| InChI |
InChI=1S/C21H26O4/c1-3-24-20(22)19(21(23)25-4-2)15-17-13-9-6-10-14-18(17)16-11-7-5-8-12-16/h5,7-8,11-14,19H,3-4,6,9-10,15H2,1-2H3 |
| InChIKey |
DJXOAZPSRBQWCH-UHFFFAOYSA-N |
| Molecular Weight |
342.435 g/mol |
| SMILES |
C(CC=1C(C=2C=CC=CC2)=CCCCC1)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969417 |
![Propanedioic acid, [(7-phenyl-1,6-cycloheptadien-1-yl)methyl]-, diethyl ester](/api/spectrum/8Asnw68rHsb/structure.png?h=300&w=458 "Propanedioic acid, [(7-phenyl-1,6-cycloheptadien-1-yl)methyl]-, diethyl ester")
