| SpectraBase Spectrum ID |
5ACE4qBORk |
| Name |
Heptanol<2-> |
| CAS Registry Number |
543-49-7 |
| 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 |
116.120115134 u |
| Formula |
C7H16O |
| 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/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3 |
| InChIKey |
CETWDUZRCINIHU-UHFFFAOYSA-N |
| Molecular Weight |
116.204 g/mol |
| Nominal Mass |
116 u |
| Number of Peaks |
44 |
| SMILES |
OC(CCCCC)C |
| SPLASH |
splash10-0002-9000000000-838da499b668fae58550 |
| Source |
ex KUBECZKA |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001674 |
