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3-Hydroxy-7-hydroxymethyl-2,2-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin
SpectraBase Compound ID HhoC48VMXN3
InChI InChI=1S/C12H16O4/c1-12(2)11(14)7-15-10-5-8(6-13)3-4-9(10)16-12/h3-5,11,13-14H,6-7H2,1-2H3
InChIKey JKYQZPBMEHMPQR-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERKdWHEw1f9
Name 3-Hydroxy-7-hydroxymethyl-2,2-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-12(2)11(14)7-15-10-5-8(6-13)3-4-9(10)16-12/h3-5,11,13-14H,6-7H2,1-2H3
InChIKey JKYQZPBMEHMPQR-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
SMILES OCc1cc2c(OC(C(CO2)O)(C)C)cc1
SPLASH splash10-00dl-0930000000-3e4a45b6db826d6efaf7
Source of Spectrum F-55-10114-13
Synonyms 7-(hydroxymethyl)-2,2-dimethyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
Wiley ID 838897