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3-Methylcoumarin
SpectraBase Compound ID Ffz336qLc9G
InChI InChI=1S/C10H8O2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3
InChIKey VIIIJFZJKFXOGG-UHFFFAOYSA-N
Mol Weight 160.17 g/mol
Molecular Formula C10H8O2
Exact Mass 160.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkD8ygXGvKm
Name 2H-1-Benzopyran-2-one, 3-methyl-
CAS Registry Number 2445-82-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8O2
InChI InChI=1S/C10H8O2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3
InChIKey VIIIJFZJKFXOGG-UHFFFAOYSA-N
Molecular Weight 160.172 g/mol
SMILES C1(Oc2ccccc2C=C1C)=O
SPLASH splash10-01q9-7900000000-86870ea485d9b9d06fc6
Source of Spectrum SD-1981-0-0
Synonyms Coumarin, 3-methyl- 3-Methyl-2H-chromen-2-one 3-Methyl-1-benzopyran-2-one 3-Methyl-2H-1-benzopyran-2-one 3-Methylchromen-2-one 3-Methylcoumarin 3-Methylcumarin BRN 0122776 EINECS 219-498-8 NSC 65664
Wiley ID 1156981