| SpectraBase Spectrum ID |
DQE0psAJ9LA |
| Name |
Hexanol<3-methylthio-1-> |
| CAS Registry Number |
51755-66-9 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
148.092186308 u |
| Formula |
C7H16OS |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3 |
| InChIKey |
JSASXSHMJYRPCM-UHFFFAOYSA-N |
| Molecular Weight |
148.264 g/mol |
| Nominal Mass |
148 u |
| Number of Peaks |
78 |
| SMILES |
OCCC(SC)CCC |
| SPLASH |
splash10-0a4l-9100000000-e67676d05033975b47c5 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000655 |
