SpectraBase Spectrum ID |
EsbDCVglCWX |
Name |
Heptenyl tiglate, (4Z)- |
CAS Registry Number |
1231959-28-6 |
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 |
196.146329882 u |
Formula |
C12H20O2 |
InChI |
InChI=1S/C12H20O2/c1-4-6-7-8-9-10-14-12(13)11(3)5-2/h5-7H,4,8-10H2,1-3H3/b7-6-,11-5+ |
InChIKey |
HLEDYEHPOXYHIQ-TUKAJDRUSA-N |
Molecular Weight |
196.290 g/mol |
Number of Peaks |
50 |
RI1 |
1416 |
RI2 |
1095 |
RI3 |
1169 |
RI4 |
1129 |
RI5 |
1405 |
SMILES |
C\C(C(=O)OCCC\C=C/CC)=C/C |
SPLASH |
splash10-053r-9000000000-314b0cf9c0a84d25e864 |
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-, (4Z)-4-hepten-1-yl ester, (2E)- |
Wiley ID |
LM_FFNSC3_3419 |