| SpectraBase Compound ID | AKf0UjJUmtR |
|---|---|
| InChI | InChI=1S/C20H27N3O3/c1-6-7-10-13-23-15-12-9-8-11-14(15)16(22-23)18(24)21-17(19(25)26-5)20(2,3)4/h6,8-9,11-12,17H,1,7,10,13H2,2-5H3,(H,21,24)/t17-/m1/s1/i8D,9D,11D,12D |
| InChIKey | LWOCBHBFWNGPGM-GVCGFBQTSA-N |
| Mol Weight | 361.48 g/mol |
| Molecular Formula | C20H23D4N3O3 |
| Exact Mass | 361.230349 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LjHm0dsyG02 |
|---|---|
| Name | MDMB-4en-PINACA-d4 |
| Catalog Number | 39928 |
| Lot Number | 698589 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.230348722 u |
| Formula | C20H23D4N3O3 |
| InChI | InChI=1S/C20H27N3O3/c1-6-7-10-13-23-15-12-9-8-11-14(15)16(22-23)18(24)21-17(19(25)26-5)20(2,3)4/h6,8-9,11-12,17H,1,7,10,13H2,2-5H3,(H,21,24)/t17-/m1/s1/i8D,9D,11D,12D |
| InChIKey | LWOCBHBFWNGPGM-GVCGFBQTSA-N |
| Molecular Weight | 361.478 g/mol |
| Quality | 983 |
| SMILES | N(C(C1=NN(C=2C(=C(C(=C(C12)[D])[D])[D])[D])CCCC=C)=O)[C@@](C(C)(C)C)(C(OC)=O)[H] |
| SPLASH | splash10-014i-3893000000-275e48e96fef27a35eec |
| Source of Spectrum | CAY-2024-2370-0 |
| Synonyms | methyl (2S)-3,3-dimethyl-2-{[1-(pent-4-en-1-yl)(4,5,6,7-2H4)-1H-indazol-3-yl]formamido}butanoate |
| Wiley ID | 1890579 |