| SpectraBase Spectrum ID |
D4XYqd42N6z |
| Name |
Butyrate |
| CAS Registry Number |
2445-67-2 |
| 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 |
158.130679818 u |
| Formula |
C9H18O2 |
| InChI |
InChI=1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3 |
| InChIKey |
NWZQCEQAPBRMFX-UHFFFAOYSA-N |
| Molecular Weight |
158.241 g/mol |
| Number of Peaks |
46 |
| RI1 |
1002 |
| RI2 |
672 |
| SMILES |
C(=O)(OCC(C)C)C(CC)C |
| SPLASH |
splash10-0a4i-9100000000-14b11e9ce566d553038c |
| 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 |
Butanoic acid, 2-methyl-, 2-methylpropyl ester |
| Wiley ID |
LM_FFNSC3_1850 |
