![9,10-Anthracenedione, 1,4-bis[[3-chloro-2-(sulfooxy)propyl]Amino]-5-nitro-, disodium salt](/api/spectrum/8fppXx3RjXo/structure.png?h=300&w=458 "9,10-Anthracenedione, 1,4-bis[[3-chloro-2-(sulfooxy)propyl]Amino]-5-nitro-, disodium salt")
| SpectraBase Compound ID | HCtuEpUXJyN |
|---|---|
| InChI | InChI=1S/C20H19Cl2N3O12S2.2Na/c21-6-10(36-38(30,31)32)8-23-13-4-5-14(24-9-11(7-22)37-39(33,34)35)18-17(13)19(26)12-2-1-3-15(25(28)29)16(12)20(18)27;;/h1-5,10-11,23-24H,6-9H2,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2 |
| InChIKey | AMTQINMFASYBOP-UHFFFAOYSA-L |
| Mol Weight | 672.37053856 g/mol |
| Molecular Formula | C20H17Cl2N3Na2O12S2 |
| Exact Mass | 670.942609 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 8fppXx3RjXo |
|---|---|
| Name | 9,10-Anthracenedione, 1,4-bis[[3-chloro-2-(sulfooxy)propyl]Amino]-5-nitro-, disodium salt |
| CAS Registry Number | 6424-93-7 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H17Cl2N3Na2O12S2 |
| InChI | InChI=1S/C20H19Cl2N3O12S2.2Na/c21-6-10(36-38(30,31)32)8-23-13-4-5-14(24-9-11(7-22)37-39(33,34)35)18-17(13)19(26)12-2-1-3-15(25(28)29)16(12)20(18)27;;/h1-5,10-11,23-24H,6-9H2,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2 |
| InChIKey | AMTQINMFASYBOP-UHFFFAOYSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |