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3-(4-Methoxyphenylimino)-4-(di-n-butylamino)-2,5-benzothiazocine-1,6-dione
SpectraBase Compound ID 9W9Kfw79CbI
InChI InChI=1S/C25H29N3O3S/c1-4-6-16-28(17-7-5-2)22-24(26-18-12-14-19(31-3)15-13-18)32-25(30)21-11-9-8-10-20(21)23(29)27-22/h8-15H,4-7,16-17H2,1-3H3/b26-24-,27-22+
InChIKey VDBWEOORZBFWJT-WRKSHHQOSA-N
Mol Weight 451.59 g/mol
Molecular Formula C25H29N3O3S
Exact Mass 451.192963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmnTdF6CIoD
Name 3-(4-Methoxyphenylimino)-4-(di-n-butylamino)-2,5-benzothiazocine-1,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29N3O3S
InChI InChI=1S/C25H29N3O3S/c1-4-6-16-28(17-7-5-2)22-24(26-18-12-14-19(31-3)15-13-18)32-25(30)21-11-9-8-10-20(21)23(29)27-22/h8-15H,4-7,16-17H2,1-3H3/b26-24-,27-22+
InChIKey VDBWEOORZBFWJT-WRKSHHQOSA-N
Molecular Weight 451.585 g/mol
SMILES C1(S\C(\C(=N/C(c2c1cccc2)=O)N(CCCC)CCCC)=N\c1ccc(cc1)OC)=O
SPLASH splash10-0udi-0001900000-11d089e3117d3a30cb05
Source of Spectrum F-52-8438-10
Synonyms (3Z)-4-(dibutylamino)-3-[(4-methoxyphenyl)imino]-1H-2,5-benzothiazocine-1,6(3H)-dione 3-(4-Methoxy-phenyimino)-4-(di-n-butylamino)-2,5-benzothiazocine-1,6-dione
Wiley ID 797076