SpectraBase Spectrum ID |
JF8DHOwWa0G |
Name |
Safrole |
CAS Registry Number |
94-59-7 |
Classification |
Flavor, fragrance |
Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
992 |
Retention Index |
1220 |
SMILES |
C1=2C(=CC=C(C2)CC=C)OCO1 |
SPLASH |
splash10-03di-3900000000-f4ede2c2782c6c3fc19f |
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_003865 |