4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-1,3-benzenediol

SpectraBase Compound ID	G9qy0B6n45r
InChI	InChI=1S/C19H18N2O4/c1-11-18(12-3-6-16-17(9-12)25-8-2-7-24-16)19(21-20-11)14-5-4-13(22)10-15(14)23/h3-6,9-10,22-23H,2,7-8H2,1H3,(H,20,21)
InChIKey	AJJMKDCAQHLJQF-UHFFFAOYSA-N Google Search
Mol Weight	338.36 g/mol
Molecular Formula	C19H18N2O4
Exact Mass	338.126657 g/mol

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SpectraBase Spectrum ID	GgD9i0yDI3Z
Name	4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-1,3-benzenediol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H18N2O4
InChI	InChI=1S/C19H18N2O4/c1-11-18(12-3-6-16-17(9-12)25-8-2-7-24-16)19(21-20-11)14-5-4-13(22)10-15(14)23/h3-6,9-10,22-23H,2,7-8H2,1H3,(H,20,21)
InChIKey	AJJMKDCAQHLJQF-UHFFFAOYSA-N
Molecular Weight	338.363 g/mol
SMILES	[nH]1c(c(c(-c2c(cc(cc2)O)O)n1)-c1ccc2c(c1)OCCCO2)C
SPLASH	splash10-000i-6955000000-bc78192e71f3d5847db1
Synonyms	4-[4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-benzene-1,3-diol
Wiley ID	1442430