| SpectraBase Spectrum ID |
DTOEoCa31v2 |
| Name |
(4'-Methoxycarbonylmethoxy-biphenyl-4-yloxy)-acetic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.110338294 u |
| Formula |
C18H18O6 |
| InChI |
InChI=1S/C18H18O6/c1-21-17(19)11-23-15-7-3-13(4-8-15)14-5-9-16(10-6-14)24-12-18(20)22-2/h3-10H,11-12H2,1-2H3 |
| InChIKey |
CKECIPYAYUYMRZ-UHFFFAOYSA-N |
| Molecular Weight |
330.336 g/mol |
| SMILES |
C(=O)(COC1=CC=C(C2=CC=C(OCC(=O)OC)C=C2)C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963136 |
