SpectraBase Compound ID | JqpeRUqN5SO |
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InChI | InChI=1S/C21H24N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-7,12,15,17-19,22,24H,8-11H2,1H3/t12-,15-,17?,18?,19+/m0/s1 |
InChIKey | KCOLJXPPFZZDIW-ZVTNEPJASA-N |
Mol Weight | 352.43 g/mol |
Molecular Formula | C21H24N2O3 |
Exact Mass | 352.178693 g/mol |
SpectraBase Spectrum ID | At8VDyXunbG |
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Name | 3,4-Dehydro-.beta.-yohimbine |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C21H24N2O3 |
InChI | InChI=1S/C21H24N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-7,12,15,17-19,22,24H,8-11H2,1H3/t12-,15-,17?,18?,19+/m0/s1 |
InChIKey | KCOLJXPPFZZDIW-ZVTNEPJASA-N |
Molecular Weight | 352.434 g/mol |
SMILES | [nH]1c2ccccc2c2c1C1C[C@@]3([C@](C(C=C[C@]3(CN1CC2)[H])O)(C(=O)OC)[H])[H] |
SPLASH | splash10-0udl-0197000000-26e7f0d3616264d1e00a |
Source of Spectrum | X2-46-719-31 |
Wiley ID | 1601245 |