| SpectraBase Spectrum ID |
4bZTwrKrttC |
| Name |
2-(3-(N-Propyloxycarbonyl)oxyphenyl)acetic acid, N-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.131073739 u |
| Formula |
C15H20O5 |
| InChI |
InChI=1S/C15H20O5/c1-3-8-18-14(16)11-12-6-5-7-13(10-12)20-15(17)19-9-4-2/h5-7,10H,3-4,8-9,11H2,1-2H3 |
| InChIKey |
JKXOVDANHCUPAS-UHFFFAOYSA-N |
| SMILES |
C(C(OCCC)=O)C1=CC(OC(OCCC)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906417 |
