SpectraBase Spectrum ID |
InQDPBBUhfE |
Name |
(3R,4R,7R)-3,7,9-Trimethyl-1-decen-4-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
198.198365456 u |
Formula |
C13H26O |
InChI |
InChI=1S/C13H26O/c1-6-12(5)13(14)8-7-11(4)9-10(2)3/h6,10-14H,1,7-9H2,2-5H3/t11-,12-,13-/m1/s1 |
InChIKey |
NSKYJMJEZZAIDK-JHJVBQTASA-N |
Molecular Weight |
198.350 g/mol |
SMILES |
CC(C)C[C@@](CC[C@]([C@](C)(C=C)[H])(O)[H])(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833161 |