| SpectraBase Spectrum ID |
C1mMQLl21Ek |
| Name |
Tiglate |
| Source of Sample |
SAFC Cat.no. W246018 |
| CAS Registry Number |
5837-78-5 |
| 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 |
128.083729624 u |
| Formula |
C7H12O2 |
| InChI |
InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+ |
| InChIKey |
OAPHLAAOJMTMLY-GQCTYLIASA-N |
| Molecular Weight |
128.171 g/mol |
| Number of Peaks |
50 |
| RI1 |
938 |
| RI2 |
615 |
| RI3 |
637 |
| RI4 |
600 |
| RI5 |
924 |
| SMILES |
C(\C(C)=C\C)(=O)OCC |
| SPLASH |
splash10-0kai-9200000000-e3b3204f1746f5ce1236 |
| 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-, ethyl ester, (2E)- |
| Wiley ID |
LM_FFNSC3_109 |
