| SpectraBase Spectrum ID |
L67bVHDNYnC |
| Name |
Hexyl-(2E)-butanoate |
| CAS Registry Number |
19089-92-0 |
| 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 |
170.130679818 u |
| Formula |
C10H18O2 |
| 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/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4+ |
| InChIKey |
MZNHUHNWGVUEAT-XBXARRHUSA-N |
| Molecular Weight |
170.252 g/mol |
| Nominal Mass |
170 u |
| Number of Peaks |
47 |
| SMILES |
C(OCCCCCC)(\C=C\C)=O |
| SPLASH |
splash10-00kf-9000000000-e84bcee43ffc762ba1b2 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001742 |
