| SpectraBase Spectrum ID |
AewtXGb2Na3 |
| Name |
Benzoic acid, 2-propylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.115029753 u |
| Formula |
C16H16O2 |
| InChI |
InChI=1S/C16H16O2/c1-2-8-13-9-6-7-12-15(13)18-16(17)14-10-4-3-5-11-14/h3-7,9-12H,2,8H2,1H3 |
| InChIKey |
CRSWHYNIHIEOID-UHFFFAOYSA-N |
| Molecular Weight |
240.302 g/mol |
| SMILES |
CCCC=1C(OC(C2=CC=CC=C2)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823517 |
