| SpectraBase Spectrum ID |
6kZOKWgJC0d |
| Name |
2-((1R,2S,5R)-5-Methoxy-2-methoxymethyl-cyclohex-3-enyl)-2-methyl-propionic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.167459249 u |
| Formula |
C14H24O4 |
| InChI |
InChI=1S/C14H24O4/c1-14(2,13(15)18-5)12-8-11(17-4)7-6-10(12)9-16-3/h6-7,10-12H,8-9H2,1-5H3/t10-,11+,12-/m1/s1 |
| InChIKey |
GANTUBSGJARRQE-GRYCIOLGSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
C([C@]1([C@](C=C[C@@](C1)(OC)[H])(COC)[H])[H])(C(=O)OC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809862 |
