Debug Info

object
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_id
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Aev6q1mSU16
spectrumID
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Aev6q1mSU16
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specType
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Mass Spectrum (GC)
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compound
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3-(hydroxymethyl)-7-methoxy-3-methyl-2H-chromen-4-one
SpectraBase Compound ID FAudIzJra2H
InChI InChI=1S/C12H14O4/c1-12(6-13)7-16-10-5-8(15-2)3-4-9(10)11(12)14/h3-5,13H,6-7H2,1-2H3
InChIKey ZUWJXYJTTFGZDE-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aev6q1mSU16
Name 3-(hydroxymethyl)-7-methoxy-3-methyl-2H-chromen-4-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-12(6-13)7-16-10-5-8(15-2)3-4-9(10)11(12)14/h3-5,13H,6-7H2,1-2H3
InChIKey ZUWJXYJTTFGZDE-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES OCC1(COc2c(C1=O)ccc(c2)OC)C
SPLASH splash10-0uk9-0920000000-f348a3798042e87c6eea
Source of Spectrum KC-57-7399-6
Synonyms 3-(hydroxymethyl)-7-methoxy-3-methyl-3,4-dihydro-2H-1-benzopyran-4-one 3-(hydroxymethyl)-7-methoxy-3-methyl-chroman-4-one 7-Methoxy-3-methyl-3-methylol-chroman-4-one
Wiley ID 1625547
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