SpectraBase Spectrum ID |
3g2IJ1yZjMW |
Name |
Benzyl butyrate |
Source of Sample |
SAFC Cat.no. W214019 |
CAS Registry Number |
103-37-7 |
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 |
178.099379689 u |
Formula |
C11H14O2 |
InChI |
InChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3 |
InChIKey |
VONGZNXBKCOUHB-UHFFFAOYSA-N |
Molecular Weight |
178.231 g/mol |
Number of Peaks |
50 |
RI1 |
1351 |
RI2 |
1029 |
RI3 |
1252 |
RI4 |
1210 |
RI5 |
1319 |
SMILES |
c1cccc(c1)COC(CCC)=O |
SPLASH |
splash10-052f-9300000000-3d0737f1318436d436c2 |
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, phenylmethyl ester |
Wiley ID |
LM_FFNSC3_286 |