| SpectraBase Spectrum ID |
5RLjSq3QysG |
| Name |
Isosafrole <(E)-> |
| CAS Registry Number |
4043-71-4 |
| 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 |
162.068079560 u |
| Formula |
C10H10O2 |
| InChI |
InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+ |
| InChIKey |
VHVOLFRBFDOUSH-NSCUHMNNSA-N |
| Molecular Weight |
162.188 g/mol |
| Number of Peaks |
49 |
| RI1 |
1379 |
| RI2 |
1058 |
| SMILES |
c1(ccc2c(c1)OCO2)\C=C\C |
| SPLASH |
splash10-0ik9-3900000000-7a14bab432aae12bff37 |
| 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, 5-(1E)-1-propenyl- |
| Wiley ID |
LM_FFNSC3_1757 |
