| SpectraBase Spectrum ID |
1lNSgPpzuSW |
| Name |
6-Octen-1-ol, 3,7-dimethyl-, benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.177630011 u |
| Formula |
C17H24O2 |
| InChI |
InChI=1S/C17H24O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-11,15H,7,9,12-13H2,1-3H3 |
| InChIKey |
UDPCCAUIDDVTEL-UHFFFAOYSA-N |
| Molecular Weight |
260.377 g/mol |
| SMILES |
C(CC(CCC=C(C)C)C)OC(C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920349 |
