| SpectraBase Spectrum ID |
3NMvnsScqm |
| Name |
Hexyl hexanoate |
| CAS Registry Number |
6378-65-0 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
200.177630011 u |
| Formula |
C12H24O2 |
| InChI |
InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3 |
| InChIKey |
NCDCLPBOMHPFCV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
200.322 g/mol |
| Nominal Mass |
200 u |
| Quality |
996 |
| Retention Index |
1395 |
| SMILES |
C(OCCCCCC)(CCCCC)=O |
| SPLASH |
splash10-00kf-9100000000-cb4a9293037b5f88974e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Hexanoic acid hexyl ester
Hexyl caproate
Hexyl hexoate
n- |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022458 |
