SpectraBase Compound ID | BravGmE2I21 |
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InChI | InChI=1S/C19H27N3O3/c1-6-7-12-22-14-11-9-8-10-13(14)15(21-22)17(23)20-16(18(24)25-5)19(2,3)4/h8-11,16H,6-7,12H2,1-5H3,(H,20,23)/t16-/m1/s1 |
InChIKey | YHAWFWPNIXPRDT-MRXNPFEDSA-N |
Mol Weight | 345.44 g/mol |
Molecular Formula | C19H27N3O3 |
Exact Mass | 345.205242 g/mol |
SpectraBase Spectrum ID | 2tUR4NzD9Fo |
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Name | MDMB-BUTINACA |
Catalog Number | 28739 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C19H27N3O3 |
InChI | InChI=1S/C19H27N3O3/c1-6-7-12-22-14-11-9-8-10-13(14)15(21-22)17(23)20-16(18(24)25-5)19(2,3)4/h8-11,16H,6-7,12H2,1-5H3,(H,20,23)/t16-/m1/s1 |
InChIKey | YHAWFWPNIXPRDT-MRXNPFEDSA-N |
Molecular Weight | 345.443 g/mol |
SMILES | N(C(=O)c1n[n](CCCC)c2c1cccc2)[C@](C(OC)=O)(C(C)(C)C)[H] |
SPLASH | splash10-0udi-1490000000-f1f636654ebb26087ff5 |
Source of Spectrum | CAY-2023-117-0 |
Wiley ID | 1888083 |