SpectraBase Spectrum ID |
B3IEEP0MHkb |
Name |
8-Nonen-1-ol, 2-methyl-5-(1-methylethenyl)-, [S-(R*,S*)]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
196.182715392 u |
Formula |
C13H24O |
InChI |
InChI=1S/C13H24O/c1-4-6-8-13(7-5-2)10-9-12(3)11-14/h4-5,12-14H,1-2,6-11H2,3H3/t12-,13+/m0/s1 |
InChIKey |
XDZVEJQVZRTLKQ-QWHCGFSZSA-N |
Molecular Weight |
196.334 g/mol |
SMILES |
C(=C)C[C@@](CC[C@@](CO)(C)[H])(CCC=C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80902 |