| SpectraBase Spectrum ID |
2kgZoq1npwW |
| Name |
MDMB-CHMICA-A (+Cl) |
| Classification |
Designer drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
418.202320563 u |
| Formula |
C23H31ClN2O3 |
| InChI |
InChI=1S/C23H31ClN2O3/c1-23(2,3)20(22(28)29-4)25-21(27)18-14-26(13-15-8-6-5-7-9-15)19-11-10-16(24)12-17(18)19/h10-12,14-15,20H,5-9,13H2,1-4H3,(H,25,27) |
| InChIKey |
BRCWDAWOTYWRHP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
418.965 g/mol |
| Nominal Mass |
418 u |
| Quality |
972 |
| Retention Index |
3161 |
| SMILES |
C=1(C=2C(N(C1)CC1CCCCC1)=CC=C(C2)Cl)C(NC(C(C)(C)C)C(OC)=O)=O |
| SPLASH |
splash10-00fr-1593100000-8ffc2ee4773f572537b6 |
| Sample Comments |
Cl position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 2-(((5-chloro-1-(cyclohexylmethyl)-1H-indol-3-yl)carbonyl)amino)-3,3-dimethylbutanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022562 |
