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2H,6H-Benzo[1,2-b:5,4-b']dipyran, 7,8-dihydro-8,8-dimethyl-2-(4-methylphenyl)-3-nitro-
SpectraBase Compound ID BoJlAvGlX4m
InChI InChI=1S/C21H21NO4/c1-13-4-6-14(7-5-13)20-17(22(23)24)11-16-10-15-8-9-21(2,3)26-19(15)12-18(16)25-20/h4-7,10-12,20H,8-9H2,1-3H3
InChIKey HAURSJFDIOUXJY-UHFFFAOYSA-N
Mol Weight 351.4 g/mol
Molecular Formula C21H21NO4
Exact Mass 351.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjAG7stHu7y
Name 2H,6H-Benzo[1,2-b:5,4-b']dipyran, 7,8-dihydro-8,8-dimethyl-2-(4-methylphenyl)-3-nitro-
CAS Registry Number 104946-03-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO4
InChI InChI=1S/C21H21NO4/c1-13-4-6-14(7-5-13)20-17(22(23)24)11-16-10-15-8-9-21(2,3)26-19(15)12-18(16)25-20/h4-7,10-12,20H,8-9H2,1-3H3
InChIKey HAURSJFDIOUXJY-UHFFFAOYSA-N
Molecular Weight 351.402 g/mol
SMILES C1(N(=O)=O)=Cc2cc3CCC(Oc3cc2OC1c1ccc(cc1)C)(C)C
SPLASH splash10-0pb9-0149000000-c5eddaaa8ea852f108bd
Source of Spectrum AJ-58-3665-6
Synonyms 3-Nitro-8,8-dimethyl-2-(4-methylphenyl)-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran 8,8-Dimethyl-2-(4-methylphenyl)-3-nitro-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene
Wiley ID 1342690