| SpectraBase Spectrum ID |
FmXh505emzJ |
| Name |
Pentanol<4-methyl-2> |
| CAS Registry Number |
108-11-2 |
| 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 |
102.104465070 u |
| Formula |
C6H14O |
| 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/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3 |
| InChIKey |
WVYWICLMDOOCFB-UHFFFAOYSA-N |
| Molecular Weight |
102.177 g/mol |
| Nominal Mass |
102 u |
| Number of Peaks |
44 |
| SMILES |
OC(CC(C)C)C |
| SPLASH |
splash10-0002-9000000000-6775f8e65189b8802082 |
| Source |
ex JJ BROPHY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002006 |
