| SpectraBase Spectrum ID |
2glPvF0zsOr |
| Name |
Angelate |
| CAS Registry Number |
7779-81-9 |
| 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 |
156.115029753 u |
| Formula |
C9H16O2 |
| InChI |
InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5- |
| InChIKey |
XDEGQMQKHFPBEW-YVMONPNESA-N |
| Molecular Weight |
156.225 g/mol |
| Number of Peaks |
50 |
| RI1 |
1050 |
| RI2 |
722 |
| SMILES |
C(\C(C)=C/C)(=O)OCC(C)C |
| SPLASH |
splash10-0pc0-9300000000-02f5be960ba2b725e1f0 |
| 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-methylpropyl ester, (2Z)- |
| Wiley ID |
LM_FFNSC3_444 |
