| SpectraBase Spectrum ID |
441sOL1uGgr |
| Name |
Tiglate |
| CAS Registry Number |
55719-85-2 |
| 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 |
204.115029753 u |
| Formula |
C13H16O2 |
| InChI |
InChI=1S/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3/b11-3+ |
| InChIKey |
KVMWYGAYARXPOL-QDEBKDIKSA-N |
| Molecular Weight |
204.269 g/mol |
| Number of Peaks |
50 |
| RI1 |
1584 |
| RI2 |
1262 |
| SMILES |
C\C=C\(C(OCCc1ccccc1)=O)C |
| SPLASH |
splash10-0udi-6900000000-e243b5e743e8efb863e3 |
| 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-, 2-phenylethyl ester, (2E)- |
| Wiley ID |
LM_FFNSC3_1436 |
