| SpectraBase Spectrum ID |
GWNt4MAQCoa |
| Name |
Estragole |
| CAS Registry Number |
140-67-0 |
| Classification |
Fragrance precursor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
148.088815005 u |
| Formula |
C10H12O |
| InChI |
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 |
| InChIKey |
ZFMSMUAANRJZFM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
148.205 g/mol |
| Nominal Mass |
148 u |
| Quality |
985 |
| Retention Index |
1082 |
| SMILES |
C1(=CC=C(C=C1)OC)CC=C |
| SPLASH |
splash10-0002-7900000000-bbe37fce1a1d12aa4404 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Allylphenyl methyl ether
Isoanethole
1-Methoxy-4-prop-2-enyl-benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001331 |
