| SpectraBase Spectrum ID |
DNpZegRQW4M |
| Name |
Heptyl tiglate |
| CAS Registry Number |
16931-00-3 |
| 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 |
198.161979946 u |
| Formula |
C12H22O2 |
| InChI |
InChI=1S/C12H22O2/c1-4-6-7-8-9-10-14-12(13)11(3)5-2/h5H,4,6-10H2,1-3H3/b11-5+ |
| InChIKey |
AHFSPERSNRDCGH-VZUCSPMQSA-N |
| Molecular Weight |
198.306 g/mol |
| Number of Peaks |
50 |
| RI1 |
1431 |
| RI2 |
1108 |
| RI3 |
1126 |
| RI4 |
1085 |
| RI5 |
1416 |
| SMILES |
C(\C(C)=C\C)(=O)OCCCCCCC |
| SPLASH |
splash10-0zfr-9400000000-852466f273b0aad28815 |
| 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-, heptyl ester, (E)- |
| Wiley ID |
LM_FFNSC3_3438 |
