SpectraBase Spectrum ID |
4Eh2AYOyCxe |
Name |
3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-, [S-(R*,R*)]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
140.120115134 u |
Formula |
C9H16O |
InChI |
InChI=1S/C9H16O/c1-7-3-5-9(6-4-7)8(2)10/h3,8-10H,4-6H2,1-2H3/t8-,9+/m0/s1 |
InChIKey |
GLBZSENPZLIMDY-DTWKUNHWSA-N |
Molecular Weight |
140.226 g/mol |
SMILES |
C1=C(CC[C@@](C1)([C@@](O)(C)[H])[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926763 |