| SpectraBase Spectrum ID |
Fodrn2GH3AX |
| Name |
((4S,6R)-4-Isopropyl-6-methyl-cyclohex-1-enylmethylsulfanyl)-acetic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.149701185 u |
| Formula |
C14H24O2S |
| InChI |
InChI=1S/C14H24O2S/c1-10(2)12-5-6-13(11(3)7-12)8-17-9-14(15)16-4/h6,10-12H,5,7-9H2,1-4H3/t11-,12+/m0/s1 |
| InChIKey |
SUXXAZXEXDAQEK-NWDGAFQWSA-N |
| Molecular Weight |
256.404 g/mol |
| SMILES |
C1(=CC[C@](C[C@@]1(C)[H])(C(C)C)[H])CSCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80205 |
