| SpectraBase Spectrum ID |
L28XHSpmHSC |
| Name |
(4-(Isopropyloxycarbonyl)oxyphenyl)acetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.084123546 u |
| Formula |
C12H14O5 |
| InChI |
InChI=1S/C12H14O5/c1-8(2)16-12(15)17-10-5-3-9(4-6-10)7-11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14) |
| InChIKey |
TYZHBQLUCZHAMC-UHFFFAOYSA-N |
| Molecular Weight |
238.239 g/mol |
| SMILES |
C(CC1=CC=C(C=C1)OC(OC(C)C)=O)(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911311 |
