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6-Benzoylbutylamino-4-octyl-2H-1,4-benzothiazin-3-one
SpectraBase Compound ID BLDPcGCLSIk
InChI InChI=1S/C27H36N2O2S/c1-3-5-7-8-9-13-19-29-24-20-23(16-17-25(24)32-21-26(29)30)28(18-6-4-2)27(31)22-14-11-10-12-15-22/h10-12,14-17,20H,3-9,13,18-19,21H2,1-2H3
InChIKey JCSHHGPVFQTIAP-UHFFFAOYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C27H36N2O2S
Exact Mass 452.24975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JKonFemWuW
Name 6-Benzoylbutylamino-4-octyl-2H-1,4-benzothiazin-3-one
Alternate Name(s) N-butyl-N-(4-octyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-6-yl)benzamide N-butyl-N-(4-octyl-3-oxo-1,4-benzothiazin-6-yl)benzamide N-butyl-N-(4-octyl-3-oxidanylidene-1,4-benzothiazin-6-yl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36N2O2S
InChI InChI=1S/C27H36N2O2S/c1-3-5-7-8-9-13-19-29-24-20-23(16-17-25(24)32-21-26(29)30)28(18-6-4-2)27(31)22-14-11-10-12-15-22/h10-12,14-17,20H,3-9,13,18-19,21H2,1-2H3
InChIKey JCSHHGPVFQTIAP-UHFFFAOYSA-N
Molecular Weight 452.657 g/mol
SMILES c12N(C(CSc1ccc(c2)N(C(=O)c1ccccc1)CCCC)=O)CCCCCCCC
SPLASH splash10-0a4i-1900000000-7059ef65a1cc1c9ef65e
Source of Spectrum EMC-38-772-9a
Wiley ID 1734713