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N'-(4-methoxybenzylidene)-4-(4-oxospiro[benzo[e][1,3]thiazine-2,1'-cyclohexan]-3(4H)-yl)benzohydrazide
SpectraBase Compound ID FrR9MJxP2Il
InChI InChI=1S/C28H27N3O3S/c1-34-23-15-9-20(10-16-23)19-29-30-26(32)21-11-13-22(14-12-21)31-27(33)24-7-3-4-8-25(24)35-28(31)17-5-2-6-18-28/h3-4,7-16,19H,2,5-6,17-18H2,1H3,(H,30,32)
InChIKey PXQALAYZXZFFQI-UHFFFAOYSA-N
Mol Weight 485.6 g/mol
Molecular Formula C28H27N3O3S
Exact Mass 485.177313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzG5fTwgKXy
Name N'-(4-methoxybenzylidene)-4-(4-oxospiro[benzo[e][1,3]thiazine-2,1'-cyclohexan]-3(4H)-yl)benzohydrazide
Appearance Pale Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27N3O3S
InChI InChI=1S/C28H27N3O3S/c1-34-23-15-9-20(10-16-23)19-29-30-26(32)21-11-13-22(14-12-21)31-27(33)24-7-3-4-8-25(24)35-28(31)17-5-2-6-18-28/h3-4,7-16,19H,2,5-6,17-18H2,1H3,(H,30,32)
InChIKey PXQALAYZXZFFQI-UHFFFAOYSA-N
Instrument Name Shimada GCS-OP 1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3759
Molecular Weight 485.602 g/mol
SMILES N(C(c1ccc(N2C3(CCCCC3)Sc3ccccc3C2=O)cc1)=O)N=Cc1ccc(cc1)OC
SPLASH splash10-001i-0490200000-050bb079a1cf955e241e
Source of Spectrum Y-57-170-8a
Wiley ID 1859730