John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5ANwJgIPu4f SpectraBase Spectrum ID=CPDCUVOi4kt

(accessed ).
SUB-M;DISODIUM-SALT-OF-2-[[4-[N-ETHYL-N-(3-SULFOPHENYLMETHYL)-AMINO]-PHENYL]-[4-OXO-2,5-CYCLOHEXADIENYLIDENE]-METHYL]-BENZENESULPHONIC-ACID
SpectraBase Compound ID 5ANwJgIPu4f
InChI InChI=1S/C28H25NO7S2.2Na/c1-2-29(19-20-6-5-7-25(18-20)37(31,32)33)23-14-10-21(11-15-23)28(22-12-16-24(30)17-13-22)26-8-3-4-9-27(26)38(34,35)36;;/h3-18H,2,19H2,1H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2
InChIKey KSJBMTJJWQMPDR-UHFFFAOYSA-L
Mol Weight 595.59153856 g/mol
Molecular Formula C28H23NNa2O7S2
Exact Mass 595.071135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CPDCUVOi4kt
Name SUB-M;DISODIUM-SALT-OF-2-[[4-[N-ETHYL-N-(3-SULFOPHENYLMETHYL)-AMINO]-PHENYL]-[4-OXO-2,5-CYCLOHEXADIENYLIDENE]-METHYL]-BENZENESULPHONIC-ACID
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H23NNa2O7S2
InChI InChI=1S/C28H25NO7S2.2Na/c1-2-29(19-20-6-5-7-25(18-20)37(31,32)33)23-14-10-21(11-15-23)28(22-12-16-24(30)17-13-22)26-8-3-4-9-27(26)38(34,35)36;;/h3-18H,2,19H2,1H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2
InChIKey KSJBMTJJWQMPDR-UHFFFAOYSA-L
Literature Reference Author T.KUSAKA,H.MATSUFUJI,M.CHINO,Y.KATO,M.NAKAMURA,Y.GODA,M.TOYO DA,M.TAKEDA
Literature Reference Citation FOOD.ADD.CONT.,16,501(1999)
Literature Reference DOI 10.1080/026520399283641
Molecular Weight 595.593 g/mol
Source File Reference UWLU75558
SpectraBase Batch ID Cf1GM7TfETa