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trans-3-[3,4-Dihydro-3-methyl-2-(4-methylbenzoyl)-2H-1,4-benzothiazin-3-yl]-2H-1-benzopyran-2-one
SpectraBase Compound ID IsqQt1Bx7Ew
InChI InChI=1S/C26H21NO3S/c1-16-11-13-17(14-12-16)23(28)24-26(2,27-20-8-4-6-10-22(20)31-24)19-15-18-7-3-5-9-21(18)30-25(19)29/h3-15,24,27H,1-2H3/t24-,26-/m0/s1
InChIKey INEVFANRTINMJP-AHWVRZQESA-N
Mol Weight 427.52 g/mol
Molecular Formula C26H21NO3S
Exact Mass 427.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wNIQ4Y8vW8
Name trans-3-[3,4-Dihydro-3-methyl-2-(4-methylbenzoyl)-2H-1,4-benzothiazin-3-yl]-2H-1-benzopyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21NO3S
InChI InChI=1S/C26H21NO3S/c1-16-11-13-17(14-12-16)23(28)24-26(2,27-20-8-4-6-10-22(20)31-24)19-15-18-7-3-5-9-21(18)30-25(19)29/h3-15,24,27H,1-2H3/t24-,26-/m0/s1
InChIKey INEVFANRTINMJP-AHWVRZQESA-N
Literature Reference DOI 10.1002/hlca.201100357
Molecular Weight 427.518 g/mol
SMILES N1[C@]([C@@](Sc2c1cccc2)(C(=O)c1ccc(cc1)C)[H])(C1=Cc2c(OC1=O)cccc2)C
SPLASH splash10-05mn-8910000000-1b5588f7c8449911e40e
Source of Spectrum H-95-669-3b
Synonyms 3-((2R,3S)-3-methyl-2-(4-methylbenzoyl)-3,4-dihydro-2H-benzo[b][1,4]thiazin-3-yl)-2H-chromen-2-one
Wiley ID 1786220