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1-[6-Hydroxy-4-(4-hydroxy-3-methoxy-phenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]-ethanone
SpectraBase Compound ID BVyVTAkRkUP
InChI InChI=1S/C18H22N2O4/c1-9-15-12(20-19-9)8-18(3,23)17(10(2)21)16(15)11-5-6-13(22)14(7-11)24-4/h5-7,16-17,22-23H,8H2,1-4H3,(H,19,20)
InChIKey NJYBZOMUTUUJFM-UHFFFAOYSA-N
Mol Weight 330.38 g/mol
Molecular Formula C18H22N2O4
Exact Mass 330.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Q58UJaEreL
Name 1-[6-Hydroxy-4-(4-hydroxy-3-methoxy-phenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]-ethanone
Alternate Name(s) 1-[4-(3-methoxy-4-oxidanyl-phenyl)-3,6-dimethyl-6-oxidanyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone 1-[6-hydroxy-4-(4-hydroxy-3-methoxy-phenyl)-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone
CAS Registry Number 301317-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O4
InChI InChI=1S/C18H22N2O4/c1-9-15-12(20-19-9)8-18(3,23)17(10(2)21)16(15)11-5-6-13(22)14(7-11)24-4/h5-7,16-17,22-23H,8H2,1-4H3,(H,19,20)
InChIKey NJYBZOMUTUUJFM-UHFFFAOYSA-N
Molecular Weight 330.384 g/mol
SMILES [nH]1nc2c(C(C(C(C2)(O)C)C(=O)C)c2cc(OC)c(cc2)O)c1C
SPLASH splash10-014i-7690000000-7e991ec2fbcfa30da94c
Wiley ID 1462838