| SpectraBase Spectrum ID |
HZr0lcKtthA |
| Name |
(4as,9ar)-7-Butylsulfanylmethylene-6-methoxy-4A-methyl-decahydro-benzocyclohepten-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.196651378 u |
| Formula |
C18H30O2S |
| InChI |
InChI=1S/C18H30O2S/c1-4-5-12-21-13-14-9-10-15-8-6-7-11-18(15,2)17(19)16(14)20-3/h13,15-16H,4-12H2,1-3H3/b14-13+/t15-,16?,18+/m1/s1 |
| InChIKey |
IPAHNEQWFPMAEC-HWOKQJHQSA-N |
| Molecular Weight |
310.496 g/mol |
| SMILES |
C1([C@@]2([C@@](CC\C(C1OC)=C/SCCCC)(CCCC2)[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899307 |
