![1-Propanone, 1-[2-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-3-(1-methyl-1H-pyrrol-3-yl)-, (E)-2-butenedioate (2:1) (salt)](/api/spectrum/ImNCNXK3kQ3/structure.png?h=300&w=458 "1-Propanone, 1-[2-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-3-(1-methyl-1H-pyrrol-3-yl)-, (E)-2-butenedioate (2:1) (salt)")
| SpectraBase Compound ID | 2GGWOBxaBIk |
|---|---|
| InChI | InChI=1S/C20H28N2O3.C4H4O4/c1-15(2)21-12-17(23)14-25-20-7-5-4-6-18(20)19(24)9-8-16-10-11-22(3)13-16;5-3(6)1-2-4(7)8/h4-7,10-11,13,15,17,21,23H,8-9,12,14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| InChIKey | PGOKOBXCAZEHFF-WLHGVMLRSA-N |
| Mol Weight | 460.53 g/mol |
| Molecular Formula | C24H32N2O7 |
| Exact Mass | 460.220951 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | ImNCNXK3kQ3 |
|---|---|
| Name | 1-Propanone, 1-[2-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-3-(1-methyl-1H-pyrrol-3-yl)-, (E)-2-butenedioate (2:1) (salt) |
| CAS Registry Number | 98696-72-1 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C24H32N2O7 |
| InChI | InChI=1S/C20H28N2O3.C4H4O4/c1-15(2)21-12-17(23)14-25-20-7-5-4-6-18(20)19(24)9-8-16-10-11-22(3)13-16;5-3(6)1-2-4(7)8/h4-7,10-11,13,15,17,21,23H,8-9,12,14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| InChIKey | PGOKOBXCAZEHFF-WLHGVMLRSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |