| SpectraBase Spectrum ID |
6B8dlZXohxP |
| Name |
Toncarine |
| CAS Registry Number |
92-48-8 |
| Classification |
Flavor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
160.052429496 u |
| Formula |
C10H8O2 |
| InChI |
InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3 |
| InChIKey |
FXFYOPQLGGEACP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
160.172 g/mol |
| Nominal Mass |
160 u |
| Quality |
995 |
| Retention Index |
1200 |
| SMILES |
C1=2C(=CC(=CC2)C)C=CC(O1)=O |
| SPLASH |
splash10-0gx0-4900000000-fc15e45a6447a550c03f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6-Methylbenzopyrone
6-Methylcoumarin |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027911 |
