| SpectraBase Spectrum ID |
68fSzAa3pu8 |
| Name |
(2R,3S)-3-Methyl-2-(1-methoxy-propen-2-yl)-1-isopropylidenecyclopentane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.167065327 u |
| Formula |
C13H22O |
| InChI |
InChI=1S/C13H22O/c1-9(2)12-7-6-10(3)13(12)11(4)8-14-5/h8,10,13H,6-7H2,1-5H3/b11-8+/t10-,13-/m0/s1 |
| InChIKey |
WXBCSIIBYMWSJX-SYBXUWECSA-N |
| Molecular Weight |
194.318 g/mol |
| SMILES |
C1([C@](\C(=C\OC)C)([C@@](C)(CC1)[H])[H])=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813475 |
