| SpectraBase Spectrum ID |
DhUs0hWVkQt |
| Name |
Vanillin isobutyrate |
| Source of Sample |
SAFC Cat.no. W375403 |
| CAS Registry Number |
20665-85-4 |
| 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 |
222.089208927 u |
| Formula |
C12H14O4 |
| InChI |
InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3 |
| InChIKey |
BGKAKRUFBSTALK-UHFFFAOYSA-N |
| Molecular Weight |
222.240 g/mol |
| Number of Peaks |
50 |
| RI1 |
1660 |
| RI2 |
1337 |
| SMILES |
c1c(c(cc(c1)C=O)OC)OC(C(C)C)=O |
| SPLASH |
splash10-0fdo-9300000000-35ac292e5f533d754993 |
| 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 |
Propanoic acid, 2-methyl-, 4-formyl-2-methoxyphenyl ester |
| Wiley ID |
LM_FFNSC3_853 |
