| SpectraBase Spectrum ID |
J5gEwGrvzeR |
| Name |
2-[4-(Hexyloxy)phenyl]acetic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.156894565 u |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-3-4-5-6-11-18-14-9-7-13(8-10-14)12-15(16)17-2/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey |
IUUJCAOZWVHINB-UHFFFAOYSA-N |
| Molecular Weight |
250.338 g/mol |
| SMILES |
C(OC1=CC=C(C=C1)CC(=O)OC)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876593 |
![2-[4-(Hexyloxy)phenyl]acetic acid, methyl ester](/api/spectrum/J5gEwGrvzeR/structure.png?h=300&w=458 "2-[4-(Hexyloxy)phenyl]acetic acid, methyl ester")
