| SpectraBase Spectrum ID |
IpawoKwqnWN |
| Name |
mix of 1-[(1S,3R,4R)-3-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptan-7-yl]ethanone and (2R,3R)-2,3-dihydroxybutanedioic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21ClN2O7 |
| InChI |
InChI=1S/C13H15ClN2O.C4H6O6/c1-8(17)16-10-3-4-12(16)11(6-10)9-2-5-13(14)15-7-9;5-1(3(7)8)2(6)4(9)10/h2,5,7,10-12H,3-4,6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-,11+,12+;1-,2-/m01/s1 |
| InChIKey |
NXRDBNBJQMUHBB-IBLFXDAOSA-N |
| Instrument Name |
Thermo Scientific Trace GC Ultra- iTQ 1100 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.8b00062 |
| Molecular Weight |
400.815 g/mol |
| SMILES |
[C@]12(N([C@](C[C@@]2(c2cnc(Cl)cc2)[H])(CC1)[H])C(C)=O)[H].O[C@]([C@](C(=O)O)(O)[H])(C(=O)O)[H] |
| SPLASH |
splash10-014l-6910000000-279ae379717e2eb44535 |
| Source of Spectrum |
G4-81-SM16-16-1 |
| Wiley ID |
1867663 |
![mix of 1-[(1S,3R,4R)-3-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptan-7-yl]ethanone and (2R,3R)-2,3-dihydroxybutanedioic acid](/api/spectrum/IpawoKwqnWN/structure.png?h=300&w=458 "mix of 1-[(1S,3R,4R)-3-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptan-7-yl]ethanone and (2R,3R)-2,3-dihydroxybutanedioic acid")
