| SpectraBase Spectrum ID |
GPc4pn2MqEP |
| Name |
2,2-Dimethyl-propionic acid (S)-2-hydroxy-4-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-cyclohexyl)-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.245709571 u |
| Formula |
C18H34O4 |
| InChI |
InChI=1S/C18H34O4/c1-12-9-14(20)10-18(5,6)15(12)8-7-13(19)11-22-16(21)17(2,3)4/h12-15,19-20H,7-11H2,1-6H3/t12-,13+,14+,15+/m1/s1 |
| InChIKey |
ICYGZHIFMIZJSF-QPSCCSFWSA-N |
| SMILES |
C1([C@]([C@](C)(C[C@@](C1)(O)[H])[H])(CC[C@@](COC(C(C)(C)C)=O)(O)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945054 |
