SpectraBase Compound ID | FyuchJFB97N |
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InChI | InChI=1S/C21H29ClN2O3/c1-21(2,3)18(20(26)27-4)23-19(25)16-14-24(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,23,25)/t18-/m1/s1 |
InChIKey | RDYYVCJZBGFEEK-GOSISDBHSA-N |
Mol Weight | 392.93 g/mol |
Molecular Formula | C21H29ClN2O3 |
Exact Mass | 392.18667 g/mol |
SpectraBase Spectrum ID | Cyt1vBoLv4q |
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Name | 5-chloro MDMB-PICA |
Catalog Number | 23438 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C21H29ClN2O3 |
InChI | InChI=1S/C21H29ClN2O3/c1-21(2,3)18(20(26)27-4)23-19(25)16-14-24(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,23,25)/t18-/m1/s1 |
InChIKey | RDYYVCJZBGFEEK-GOSISDBHSA-N |
Molecular Weight | 392.927 g/mol |
SMILES | N(C(=O)c1c[n](CCCCCCl)c2c1cccc2)[C@](C(OC)=O)(C(C)(C)C)[H] |
SPLASH | splash10-0002-1392000000-31fce6bd74c202903a4f |
Source of Spectrum | CAY-2023-279-0 |
Wiley ID | 1888245 |