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KWILGNNWGSNMPA-UHFFFAOYSA-N
SpectraBase Compound ID 1bhJ7Ua4IFf
InChI InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3
InChIKey KWILGNNWGSNMPA-UHFFFAOYSA-N
Mol Weight 178.19 g/mol
Molecular Formula C10H10O3
Exact Mass 178.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChMzOs5Av25
Name Mellein
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O3
InChI InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3
InChIKey KWILGNNWGSNMPA-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1021/np300468h
Molecular Weight 178.187 g/mol
SMILES Oc1cccc2c1C(OC(C2)C)=O
SPLASH splash10-0059-1900000000-c903c61e6d35dafeda47
Source of Spectrum G4-75-SM38-181
Wiley ID 1854722