| SpectraBase Spectrum ID |
Dnr9NV6Fdbc |
| Name |
Safrole |
| CAS Registry Number |
94-59-7 |
| Classification |
Flavor, fragrance |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
162.188 g/mol |
| Nominal Mass |
162 u |
| Quality |
987 |
| Retention Index |
1220 |
| SMILES |
C1=2C(=CC=C(C2)CC=C)OCO1 |
| SPLASH |
splash10-0w59-7900000000-82455e5d248499faffa8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-Allyl-1,3-benzodioxole
5-Prop-2-enyl-1,3-benzodioxole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006882 |
