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4-(Di-n-butylamino)-3-(4-nitrophenylimino)-2,5-benzothiazocine-1,6-dione
SpectraBase Compound ID 4WDWbpHw3DW
InChI InChI=1S/C24H26N4O4S/c1-3-5-15-27(16-6-4-2)21-23(25-17-11-13-18(14-12-17)28(31)32)33-24(30)20-10-8-7-9-19(20)22(29)26-21/h7-14H,3-6,15-16H2,1-2H3/b25-23-,26-21+
InChIKey JYPNBURMCTWBQX-GDBNUEIYSA-N
Mol Weight 466.56 g/mol
Molecular Formula C24H26N4O4S
Exact Mass 466.167477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEuiW2hBHX6
Name 4-(Di-n-butylamino)-3-(4-nitrophenylimino)-2,5-benzothiazocine-1,6-dione
Alternate Name(s) (3Z)-4-(dibutylamino)-3-[(4-nitrophenyl)imino]-1H-2,5-benzothiazocine-1,6(3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N4O4S
InChI InChI=1S/C24H26N4O4S/c1-3-5-15-27(16-6-4-2)21-23(25-17-11-13-18(14-12-17)28(31)32)33-24(30)20-10-8-7-9-19(20)22(29)26-21/h7-14H,3-6,15-16H2,1-2H3/b25-23-,26-21+
InChIKey JYPNBURMCTWBQX-GDBNUEIYSA-N
Molecular Weight 466.556 g/mol
SMILES C1(S\C(\C(=N/C(c2c1cccc2)=O)N(CCCC)CCCC)=N\c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0gb9-0000900000-9e3f26b3ae446c8a0b90
Source of Spectrum F-52-8436-10
Wiley ID 797082