SpectraBase Spectrum ID |
CXLyDItt2SK |
Name |
Hexenyl butanoate<2E-> |
CAS Registry Number |
53398-83-7 |
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 |
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/h6-7H,3-5,8-9H2,1-2H3/b7-6+ |
InChIKey |
PCGACKLJNBBQGM-VOTSOKGWSA-N |
Molecular Weight |
170.252 g/mol |
Nominal Mass |
170 u |
Number of Peaks |
79 |
SMILES |
C(OC\C=C\CCC)(CCC)=O |
SPLASH |
splash10-006x-9000000000-ad3416d5d76e6d10b93e |
Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
Wiley ID |
RA001728 |