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2H-3,1-Benzoxazine, 1,4-dihydro-4,4-diphenyl-2-[3-(2-thienyl)-1H-pyrazol-4-yl]-
SpectraBase Compound ID CAIzJkJzGud
InChI InChI=1S/C27H21N3OS/c1-3-10-19(11-4-1)27(20-12-5-2-6-13-20)22-14-7-8-15-23(22)29-26(31-27)21-18-28-30-25(21)24-16-9-17-32-24/h1-18,26,29H,(H,28,30)
InChIKey HUSBDYKTTRVDES-UHFFFAOYSA-N
Mol Weight 435.55 g/mol
Molecular Formula C27H21N3OS
Exact Mass 435.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jqry07BEw7r
Name 2H-3,1-Benzoxazine, 1,4-dihydro-4,4-diphenyl-2-[3-(2-thienyl)-1H-pyrazol-4-yl]-
Alternate Name(s) 4,4-Diphenyl-2-[3-(thiophen-2-yl)-1H-pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine 4,4-Diphenyl-2-(5-thiophen-2-yl-1H-pyrazol-4-yl)-1,2-dihydro-3,1-benzoxazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21N3OS
InChI InChI=1S/C27H21N3OS/c1-3-10-19(11-4-1)27(20-12-5-2-6-13-20)22-14-7-8-15-23(22)29-26(31-27)21-18-28-30-25(21)24-16-9-17-32-24/h1-18,26,29H,(H,28,30)
InChIKey HUSBDYKTTRVDES-UHFFFAOYSA-N
Molecular Weight 435.545 g/mol
SMILES N1c2c(C(OC1c1c[nH]nc1-c1sccc1)(c1ccccc1)c1ccccc1)cccc2
SPLASH splash10-0a4i-3980000000-f1322be490e67d30960a
Source of Spectrum IY-2-5155-9
Wiley ID 1659542