![Picramic acid(alk)(2)->[H=acid->(1)(alk)resorcin]<-(3)(ac)p-nitraniline](/api/spectrum/CIvnHFE5Ct3/structure.png?h=300&w=458 "Picramic acid(alk)(2)->[H=acid->(1)(alk)resorcin]<-(3)(ac)p-nitraniline")
| SpectraBase Compound ID | IEZhhl2oKCR |
|---|---|
| InChI | InChI=1S/C28H17N9O15S2.2Na/c38-25-12-19(54(50,51)52)6-13-5-18(53(47,48)49)11-20(26(13)25)31-34-22-8-15(30-33-23-9-17(36(43)44)10-24(28(23)40)37(45)46)7-21(27(22)39)32-29-14-1-3-16(4-2-14)35(41)42;;/h1-12,38-40H,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2/b32-29+,33-30+,34-31-;; |
| InChIKey | CCJHPWYAXYOOIF-IEJBCNDKSA-L |
| Mol Weight | 827.57553856 g/mol |
| Molecular Formula | C28H15N9Na2O15S2 |
| Exact Mass | 826.992442 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | CIvnHFE5Ct3 |
|---|---|
| Name | Picramic acid(alk)(2)->[H=acid->(1)(alk)resorcin]<-(3)(ac)p-nitraniline |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C28H15N9Na2O15S2 |
| InChI | InChI=1S/C28H17N9O15S2.2Na/c38-25-12-19(54(50,51)52)6-13-5-18(53(47,48)49)11-20(26(13)25)31-34-22-8-15(30-33-23-9-17(36(43)44)10-24(28(23)40)37(45)46)7-21(27(22)39)32-29-14-1-3-16(4-2-14)35(41)42;;/h1-12,38-40H,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2/b32-29+,33-30+,34-31-;; |
| InChIKey | CCJHPWYAXYOOIF-IEJBCNDKSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |