| SpectraBase Spectrum ID |
Lww6T5fZ7aB |
| Name |
Apiole |
| Source of Sample |
SAFC Cat.no. W283606 |
| CAS Registry Number |
523-80-8 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 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/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3 |
| InChIKey |
QQRSPHJOOXUALR-UHFFFAOYSA-N |
| Molecular Weight |
222.240 g/mol |
| Number of Peaks |
50 |
| RI1 |
1683 |
| RI2 |
1360 |
| SMILES |
c1(cc(c2c(c1OC)OCO2)OC)CC=C |
| SPLASH |
splash10-00fr-9740000000-f23ca5937d14db4e5b64 |
| 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 |
1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propenyl)- |
| Wiley ID |
LM_FFNSC3_514 |
