SpectraBase Compound ID | BPu6qUt3Vs |
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InChI | InChI=1S/C46H34N10O13S3.4Na/c1-23-18-36(42(48)44(41(23)47)56-50-28-12-8-25(9-13-28)24-6-10-27(11-7-24)49-51-29-14-16-37(57)33(21-29)46(59)60)54-53-35-22-32-26(19-39(35)71(64,65)66)20-40(72(67,68)69)43(45(32)58)55-52-34-15-17-38(70(61,62)63)31-5-3-2-4-30(31)34;;;;/h2-22,57-58H,47-48H2,1H3,(H,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;/q;4*+1/p-4/b51-49+,54-53?,55-52-,56-50+;;;; |
InChIKey | DWAUTGHCJRNULO-DMHATLPHSA-J |
Mol Weight | 1118.94207713 g/mol |
Molecular Formula | C46H30N10Na4O13S3 |
Exact Mass | 1118.074672 g/mol |
SpectraBase Spectrum ID | Aa5hfNoufEy |
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Name | <-RR=acid](3)<-naphthionic acid |
CAS Registry Number | 2429-81-4 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C46H30N10Na4O13S3 |
InChI | InChI=1S/C46H34N10O13S3.4Na/c1-23-18-36(42(48)44(41(23)47)56-50-28-12-8-25(9-13-28)24-6-10-27(11-7-24)49-51-29-14-16-37(57)33(21-29)46(59)60)54-53-35-22-32-26(19-39(35)71(64,65)66)20-40(72(67,68)69)43(45(32)58)55-52-34-15-17-38(70(61,62)63)31-5-3-2-4-30(31)34;;;;/h2-22,57-58H,47-48H2,1H3,(H,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;/q;4*+1/p-4/b51-49+,54-53?,55-52-,56-50+;;;; |
InChIKey | DWAUTGHCJRNULO-DMHATLPHSA-J |
Instrument Name | Bruker IFS 85 |
Synonyms | Salicylic acid(1)[-benzidine-](2)[toluylene-2,4-diamine(ac) |
Technique | KBr-Pellet |