SpectraBase Spectrum ID |
Iq4bhCM9cLI |
Name |
Tiglate |
CAS Registry Number |
6622-76-0 |
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 |
114.068079560 u |
Formula |
C6H10O2 |
InChI |
InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+ |
InChIKey |
YYJWBYNQJLBIGS-SNAWJCMRSA-N |
Molecular Weight |
114.144 g/mol |
Number of Peaks |
50 |
RI1 |
862 |
RI2 |
524 |
SMILES |
C(\C(C)=C\C)(=O)OC |
SPLASH |
splash10-0a59-9100000000-6c35010c1eb5f672020a |
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-, methyl ester, (2E)- |
Wiley ID |
LM_FFNSC3_800 |