| SpectraBase Spectrum ID |
AxspnCh8JaC |
| Name |
Amyl tiglate |
| CAS Registry Number |
7785-65-1 |
| 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/c1-4-6-7-8-12-10(11)9(3)5-2/h5H,4,6-8H2,1-3H3/b9-5+ |
| InChIKey |
XJWDRSSGOHXOLQ-WEVVVXLNSA-N |
| Molecular Weight |
170.252 g/mol |
| Number of Peaks |
50 |
| RI1 |
1231 |
| RI2 |
908 |
| RI3 |
930 |
| RI4 |
887 |
| RI5 |
1214 |
| SMILES |
C(\C(C)=C\C)(=O)OCCCCC |
| SPLASH |
splash10-0zgl-9200000000-50d444f4fd4714e2cc97 |
| 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 |
2-Butenoic acid, 2-methyl-, pentyl ester, (2E)- |
| Wiley ID |
LM_FFNSC3_3399 |
