| SpectraBase Spectrum ID |
7mDaIBkhp4e |
| Name |
Hex-(2E)-enyl butyrate |
| Source of Sample |
SAFC Cat.no. W392618 |
| 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 |
| 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 |
| Number of Peaks |
50 |
| RI1 |
1197 |
| RI2 |
875 |
| RI3 |
879 |
| RI4 |
834 |
| SMILES |
CCC\C=C\COC(CCC)=O |
| SPLASH |
splash10-00dl-9000000000-f0da1887e6ada7cbdb38 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Butanoic acid, (2E)-2-hexenyl ester |
| Wiley ID |
LM_FFNSC3_345 |
