| SpectraBase Spectrum ID |
IbmYex6tIXm |
| Name |
Piperonyl isobutyrate |
| Source of Sample |
SAFC Cat.no. W291307 |
| CAS Registry Number |
5461-08-5 |
| 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(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3 |
| InChIKey |
RQULTIASPCVEFO-UHFFFAOYSA-N |
| Molecular Weight |
222.240 g/mol |
| Number of Peaks |
50 |
| RI1 |
1642 |
| RI2 |
1320 |
| SMILES |
C(C(C)C)(=O)OCc1cc2OCOc2cc1 |
| SPLASH |
splash10-000i-6910000000-a89af97131648d44d6c2 |
| 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-, 1,3-benzodioxol-5-ylmethyl ester |
| Wiley ID |
LM_FFNSC3_829 |
