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3-(4-Methoxyphenylimino)-4-(di-n-propylamino)-2,5-benzothiazocine-1,6-dione
SpectraBase Compound ID HYsMzkut0KH
InChI InChI=1S/C23H25N3O3S/c1-4-14-26(15-5-2)20-22(24-16-10-12-17(29-3)13-11-16)30-23(28)19-9-7-6-8-18(19)21(27)25-20/h6-13H,4-5,14-15H2,1-3H3/b24-22-,25-20+
InChIKey HMQAMCZQELCOEZ-YWIVNZHWSA-N
Mol Weight 423.53 g/mol
Molecular Formula C23H25N3O3S
Exact Mass 423.161663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID La0YEtry51L
Name 3-(4-Methoxyphenylimino)-4-(di-n-propylamino)-2,5-benzothiazocine-1,6-dione
Alternate Name(s) (3Z)-4-(dipropylamino)-3-[(4-methoxyphenyl)imino]-1H-2,5-benzothiazocine-1,6(3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N3O3S
InChI InChI=1S/C23H25N3O3S/c1-4-14-26(15-5-2)20-22(24-16-10-12-17(29-3)13-11-16)30-23(28)19-9-7-6-8-18(19)21(27)25-20/h6-13H,4-5,14-15H2,1-3H3/b24-22-,25-20+
InChIKey HMQAMCZQELCOEZ-YWIVNZHWSA-N
Molecular Weight 423.531 g/mol
SMILES C1(S\C(\C(=N/C(c2c1cccc2)=O)N(CCC)CCC)=N\c1ccc(cc1)OC)=O
SPLASH splash10-00di-0003900000-704aab5d1a1454762dad
Source of Spectrum F-52-8437-10
Wiley ID 797077