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3-(hydroxymethyl)-3-isopropyl-7-methoxy-chroman-4-one
SpectraBase Compound ID BhwilccoXoO
InChI InChI=1S/C14H18O4/c1-9(2)14(7-15)8-18-12-6-10(17-3)4-5-11(12)13(14)16/h4-6,9,15H,7-8H2,1-3H3
InChIKey KDXMATGROQJGAY-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9EUKbDkElJ2
Name 3-(hydroxymethyl)-3-isopropyl-7-methoxy-chroman-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-9(2)14(7-15)8-18-12-6-10(17-3)4-5-11(12)13(14)16/h4-6,9,15H,7-8H2,1-3H3
InChIKey KDXMATGROQJGAY-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES OCC1(COc2c(C1=O)ccc(c2)OC)C(C)C
SPLASH splash10-0zfr-0950000000-e68007bc6ca21874b0b9
Source of Spectrum KC-57-7399-6
Synonyms 3-(hydroxymethyl)-7-methoxy-3-propan-2-yl-2H-chromen-4-one 3-(hydroxymethyl)-7-methoxy-3-propan-2-yl-3,4-dihydro-2H-1-benzopyran-4-one 3-isopropyl-7-methoxy-3-methylol-chroman-4-one
Wiley ID 1625544