| SpectraBase Spectrum ID |
KOGmuKaw1pW |
| Name |
N-(3'-Chloropropyl)-2.beta.-carbomethoxy-3.beta.-(4'-iodophenyl)nortropane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H23ClINO2 |
| InChI |
InChI=1S/C18H23ClINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14-,15+,16+,17-/m0/s1 |
| InChIKey |
PACSAYNXHRWUOO-HZMVEIRTSA-N |
| Molecular Weight |
447.744 g/mol |
| SMILES |
[C@@]1([C@@]2(N(CCCCl)[C@](C[C@@]1(c1ccc(cc1)I)[H])(CC2)[H])[H])(C(=O)OC)[H] |
| SPLASH |
splash10-0002-0001900000-c71098534af5b022a840 |
| Source of Spectrum |
E1-39-547-4 |
| Synonyms |
methyl (3S,4S)-8-(3-chloropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
methyl (3S,4S)-8-(3-chloranylpropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate |
| Wiley ID |
1598668 |
