| SpectraBase Spectrum ID |
EAPqF2BrHqM |
| Name |
(1S,2R,4S)-4-Carbomethoxy-2,3,3-trimethyl-cyclopentanecarboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.120509056 u |
| Formula |
C11H18O4 |
| InChI |
InChI=1S/C11H18O4/c1-6-7(9(12)13)5-8(10(14)15-4)11(6,2)3/h6-8H,5H2,1-4H3,(H,12,13)/t6-,7+,8-/m1/s1 |
| InChIKey |
CYOZPPMSSSDWBU-GJMOJQLCSA-N |
| Molecular Weight |
214.261 g/mol |
| SMILES |
C1([C@](C[C@@]([C@]1(C)[H])(C(=O)O)[H])(C(=O)OC)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978646 |
