| SpectraBase Spectrum ID |
IURN0VlpijB |
| Name |
Heptan-2-ol<6-methyl- |
| CAS Registry Number |
4730-22-7 |
| 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 |
130.135765199 u |
| Formula |
C8H18O |
| 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/C8H18O/c1-7(2)5-4-6-8(3)9/h7-9H,4-6H2,1-3H3 |
| InChIKey |
FCOUHTHQYOMLJT-UHFFFAOYSA-N |
| Molecular Weight |
130.231 g/mol |
| Nominal Mass |
130 u |
| Number of Peaks |
51 |
| SMILES |
OC(CCCC(C)C)C |
| SPLASH |
splash10-0005-9000000000-d0c17e742c762f2e5b21 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001669 |
