| SpectraBase Spectrum ID |
8AmgBxR1Ebh |
| Name |
Safrole |
| CAS Registry Number |
94-59-7 |
| 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 |
162.068079560 u |
| Formula |
C10H10O2 |
| InChI |
InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 |
| InChIKey |
ZMQAAUBTXCXRIC-UHFFFAOYSA-N |
| Molecular Weight |
162.188 g/mol |
| Number of Peaks |
50 |
| RI1 |
1327 |
| RI2 |
1004 |
| SMILES |
C(Cc1ccc2c(c1)OCO2)=C |
| SPLASH |
splash10-0w4i-5900000000-555d81123af7d3ea48a5 |
| 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-(2-propenyl)- |
| Wiley ID |
LM_FFNSC3_980 |
