| SpectraBase Spectrum ID |
KtkMpBJcEn |
| Name |
Pent-2-enoic acid <2-methyl-, hex-(3Z)-enyl-> ester |
| CAS Registry Number |
76649-17-7 |
| 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 |
196.146329882 u |
| Formula |
C12H20O2 |
| InChI |
InChI=1S/C12H20O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h6-7,9H,4-5,8,10H2,1-3H3/b7-6-,11-9+ |
| InChIKey |
RTISFZCHFHFOOK-SXWITGCCSA-N |
| Molecular Weight |
196.290 g/mol |
| Number of Peaks |
50 |
| RI1 |
1402 |
| RI2 |
1081 |
| RI3 |
1133 |
| RI4 |
1091 |
| SMILES |
C(COC(\C(=C\CC)C)=O)\C=C/CC |
| SPLASH |
splash10-0159-9000000000-ee2b566bc0bd2ec8d966 |
| 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-Pentenoic acid, 2-methyl-, (3Z)-3-hexenyl ester |
| Wiley ID |
LM_FFNSC3_1446 |
