| SpectraBase Spectrum ID |
Hg1rgSd0pjn |
| Name |
Trans-2-(carboxymethyl)-3-(p-methoxyphenyl)-delta^1^,^alpha-cyclopentaneacetic acid, 1-methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.131073739 u |
| Formula |
C17H20O5 |
| InChI |
InChI=1S/C17H20O5/c1-21-13-6-3-11(4-7-13)14-8-5-12(9-17(20)22-2)15(14)10-16(18)19/h3-4,6-7,9,14-15H,5,8,10H2,1-2H3,(H,18,19)/b12-9+/t14-,15+/m1/s1 |
| InChIKey |
FIHPVVVIXFZNTF-NZETUCKYSA-N |
| SMILES |
OC(C[C@@]1([C@](CC\C1=C\C(OC)=O)(C=1C=CC(=CC1)OC)[H])[H])=O |
| Spectrum/Structure Validation Score (Raman) |
0.970138 |
