| SpectraBase Spectrum ID |
6ISLBvhlBwY |
| Name |
Mrthyl butyl benzoate <2-> |
| CAS Registry Number |
52513-03-8 |
| 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 |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-3-10(2)9-14-12(13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3 |
| InChIKey |
PYZHESNNAPENLQ-UHFFFAOYSA-N |
| Molecular Weight |
192.258 g/mol |
| Number of Peaks |
31 |
| RI1 |
1440 |
| SMILES |
C(=O)(OCC(CC)C)c1ccccc1 |
| SPLASH |
splash10-0ab9-9500000000-75539d89da172b874d1e |
| 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 |
1-Butanol, 2-methyl-, 1-benzoate |
| Wiley ID |
LM_FFNSC3_2428 |
