| SpectraBase Spectrum ID |
F8YdSIT08Xn |
| Name |
MDMB-3en-BUTINACA butanoic acid metabolite |
| Catalog Number |
28942 |
| Alternate Name(s) |
MDMB-3en-BUTINACA 3,3-dimethylbutanoic acid metabolite |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H23N3O3 |
| InChI |
InChI=1S/C18H23N3O3/c1-5-6-11-21-13-10-8-7-9-12(13)14(20-21)16(22)19-15(17(23)24)18(2,3)4/h5,7-10,15H,1,6,11H2,2-4H3,(H,19,22)(H,23,24)/t15-/m1/s1 |
| InChIKey |
GRZQNUWBXWAOSI-OAHLLOKOSA-N |
| Molecular Weight |
329.400 g/mol |
| SMILES |
N(C(=O)c1n[n](CCC=C)c2c1cccc2)[C@](C(O)=O)(C(C)(C)C)[H] |
| SPLASH |
splash10-0002-1970000000-a747ab8acd6269e4c13f |
| Source of Spectrum |
CAY-2023-234-0 |
| Wiley ID |
1888200 |
