SpectraBase Compound ID | CbmrSVNHn0T |
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InChI | InChI=1S/C38H32N4O11S3.3Na/c43-32-17-8-23-20-28(54(45,46)47)21-34(56(51,52)53)35(23)36(32)42-40-27-15-11-25(12-16-27)38(18-4-1-5-19-38)24-9-13-26(14-10-24)39-41-31-22-33(55(48,49)50)29-6-2-3-7-30(29)37(31)44;;;/h2-3,6-17,20-22,43-44H,1,4-5,18-19H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3 |
InChIKey | NWOFPTMLQCEISY-UHFFFAOYSA-K |
Mol Weight | 882.81630785 g/mol |
Molecular Formula | C38H29N4Na3O11S3 |
Exact Mass | 882.068804 g/mol |
SpectraBase Spectrum ID | 7ObR0EOY9ZP |
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Name | Nw=acid(2)[-4,4'-cyclohexylidendianilin-](1)G=acid |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C38H29N4Na3O11S3 |
InChI | InChI=1S/C38H32N4O11S3.3Na/c43-32-17-8-23-20-28(54(45,46)47)21-34(56(51,52)53)35(23)36(32)42-40-27-15-11-25(12-16-27)38(18-4-1-5-19-38)24-9-13-26(14-10-24)39-41-31-22-33(55(48,49)50)29-6-2-3-7-30(29)37(31)44;;;/h2-3,6-17,20-22,43-44H,1,4-5,18-19H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3 |
InChIKey | NWOFPTMLQCEISY-UHFFFAOYSA-K |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |