| SpectraBase Spectrum ID |
6ME79Q20eCG |
| Name |
Heptanol |
| CAS Registry Number |
53535-33-4 |
| Classification |
Cosmetics fragrance |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
116.120115134 u |
| Formula |
C7H16O |
| InChI |
InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 |
| InChIKey |
BBMCTIGTTCKYKF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
116.204 g/mol |
| Nominal Mass |
116 u |
| Quality |
994 |
| Retention Index |
953 |
| SMILES |
OCCCCCCC |
| SPLASH |
splash10-0abc-9000000000-452c61f14f462bb035d8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Heptyl alcohol
Heptan-1-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007001 |
