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Pacharin
SpectraBase Compound ID 5PRAnjD68Bi
InChI InChI=1S/C16H14O4/c1-9-14(19-2)8-10-6-7-11-12(17)4-3-5-13(11)20-16(10)15(9)18/h3-8,17-18H,1-2H3
InChIKey OZKUMALKRPIULU-UHFFFAOYSA-N
Mol Weight 270.28 g/mol
Molecular Formula C16H14O4
Exact Mass 270.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2c6a345pEO
Name 3-Methoxy-2-methyl-benzo[b][1]benzoxepin-1,7-diol
CAS Registry Number 95263-67-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O4
InChI InChI=1S/C16H14O4/c1-9-14(19-2)8-10-6-7-11-12(17)4-3-5-13(11)20-16(10)15(9)18/h3-8,17-18H,1-2H3
InChIKey OZKUMALKRPIULU-UHFFFAOYSA-N
Molecular Weight 270.284 g/mol
SMILES Oc1c2c(Oc3c(c(c(cc3C=C2)OC)C)O)ccc1
SPLASH splash10-00di-0390000000-18691a0dddfa2a3be628
Source of Spectrum F-40-4249-0
Synonyms 3-Methoxy-2-methyl-benzo[b][1]benzoxepine-1,7-diol Pacharin 3-Methoxy-2-methylbenzo[b][1]benzoxepin-1,7-diol
Wiley ID 1274336