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7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one
SpectraBase Compound ID E61Vf8JLGPn
InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
InChIKey RODXRVNMMDRFIK-UHFFFAOYSA-N
Mol Weight 192.17 g/mol
Molecular Formula C10H8O4
Exact Mass 192.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2p2b6kZmqLg
Name Scopoletin
CAS Registry Number 92-61-5
Classification Tonka bean ingredient
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 192.042258734 u
Formula C10H8O4
InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
InChIKey RODXRVNMMDRFIK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 192.170 g/mol
Nominal Mass 192 u
Quality 946
Retention Index 1428
SMILES OC1=C(C=C2C(=C1)OC(C=C2)=O)OC
SPLASH splash10-002f-3900000000-ddd778a81dfec1cb0cd8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one 7-Hydroxy-6-methoxy-2H-chromen-2-one
Technique GC/MS
Wiley ID DD2024_031255