| SpectraBase Spectrum ID |
BruqzuUp4Qs |
| Name |
3-{2'-Methoxy-5'-[3''-oxo-3''-(3''',4''',5'''-trimethoxyphenyl)-prop-E1''-enyl]-phenyl}-propyl 6-aminomethylnicotinate bis(hydrochloride) |
| Appearance |
Yellow gum |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H34Cl2N2O8 |
| InChI |
InChI=1S/C29H32N2O8.2ClH/c1-34-24-11-7-19(6-10-23(32)21-15-26(35-2)28(37-4)27(16-21)36-3)14-25(24)38-12-5-13-39-29(33)20-8-9-22(17-30)31-18-20;;/h6-11,14-16,18H,5,12-13,17,30H2,1-4H3;2*1H/b10-6+;; |
| InChIKey |
NXTMXXCHAYKZDD-DOLBFOAYSA-N |
| Instrument Name |
VARIAN MAT 311A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm801001d |
| Molecular Weight |
609.503 g/mol |
| SMILES |
Cl.NCc1ncc(C(OCCCOc2c(ccc(c2)\C=C\C(=O)c2cc(c(c(c2)OC)OC)OC)OC)=O)cc1.Cl |
| SPLASH |
splash10-000l-0901030000-eb4cac3ac334527224bd |
| Source of Spectrum |
AF-52-SM6-5b |
| Wiley ID |
1873642 |
![3-{2'-Methoxy-5'-[3''-oxo-3''-(3''',4''',5'''-trimethoxyphenyl)-prop-E1''-enyl]-phenyl}-propyl 6-aminomethylnicotinate bis(hydrochloride)](/api/spectrum/BruqzuUp4Qs/structure.png?h=300&w=458 "3-{2'-Methoxy-5'-[3''-oxo-3''-(3''',4''',5'''-trimethoxyphenyl)-prop-E1''-enyl]-phenyl}-propyl 6-aminomethylnicotinate bis(hydrochloride)")
