| SpectraBase Spectrum ID |
2nJyCeC8MHA |
| Name |
Herniarin |
| CAS Registry Number |
531-59-9 |
| Classification |
Chemical |
| 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 |
176.047344115 u |
| Formula |
C10H8O3 |
| InChI |
InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3 |
| InChIKey |
LIIALPBMIOVAHH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
176.171 g/mol |
| Nominal Mass |
176 u |
| Quality |
855 |
| Retention Index |
1319 |
| SMILES |
C1=2C(=CC=C(C2)OC)C=CC(O1)=O |
| SPLASH |
splash10-005a-5900000000-0e6c4de70f53e3250f31 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
7-Methoxy-2H-1-benzopyran-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005295 |
