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N-(6-Methoxy-4-(phenylimino)-1H-benzo[d][1,3]thiazine-2(4H)-ylidene)-4-nitroaniline
SpectraBase Compound ID DpOAf1pXkyc
InChI InChI=1S/C21H16N4O3S/c1-28-17-11-12-19-18(13-17)20(22-14-5-3-2-4-6-14)29-21(24-19)23-15-7-9-16(10-8-15)25(26)27/h2-13H,1H3,(H,23,24)
InChIKey POURHPPKUORSIO-UHFFFAOYSA-N
Mol Weight 404.44 g/mol
Molecular Formula C21H16N4O3S
Exact Mass 404.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fYnvplTwf5
Name N-(6-Methoxy-4-(phenylimino)-1H-benzo[d][1,3]thiazine-2(4H)-ylidene)-4-nitroaniline
Appearance Pale yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N4O3S
InChI InChI=1S/C21H16N4O3S/c1-28-17-11-12-19-18(13-17)20(22-14-5-3-2-4-6-14)29-21(24-19)23-15-7-9-16(10-8-15)25(26)27/h2-13H,1H3,(H,23,24)
InChIKey POURHPPKUORSIO-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 8430
Ionization Type EI
Literature Reference DOI 10.1002/jccs.201800493
Molecular Weight 404.444 g/mol
SMILES N1C(SC(c2c1ccc(c2)OC)=Nc1ccccc1)=Nc1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-056r-5911000000-7cf9e0f6b3ca64d6fbf0
Source of Spectrum QA-66-1540-5j
Wiley ID 1838615