| SpectraBase Spectrum ID |
Arwl7gkLeg6 |
| Name |
(-)-trans-3-methylcyclohexane-cis,cis-1,2-dicarboxylic acid 1-monomethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.104858991 u |
| Formula |
C10H16O4 |
| InChI |
InChI=1S/C10H16O4/c1-6-4-3-5-7(10(13)14-2)8(6)9(11)12/h6-8H,3-5H2,1-2H3,(H,11,12)/t6-,7-,8+/m1/s1 |
| InChIKey |
OYEPMFXVERVSHO-PRJMDXOYSA-N |
| Molecular Weight |
200.234 g/mol |
| SMILES |
[C@@]1([C@](C(=O)OC)(CCC[C@]1(C)[H])[H])(C(=O)O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846308 |
