| SpectraBase Compound ID | II3wIQz42OZ |
|---|---|
| InChI | InChI=1S/C19H26BrN3O3/c1-6-7-10-23-14-9-8-12(20)11-13(14)15(22-23)17(24)21-16(18(25)26-5)19(2,3)4/h8-9,11,16H,6-7,10H2,1-5H3,(H,21,24)/t16-/m1/s1 |
| InChIKey | NKCFVJNTALOWGJ-MRXNPFEDSA-N |
| Mol Weight | 424.34 g/mol |
| Molecular Formula | C19H26BrN3O3 |
| Exact Mass | 423.115755 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 1o27jn23qlG |
|---|---|
| Name | MDMB-5'Br-BUTINACA |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 37698 |
| Lot Number | 0662525-7 |
| Accessory | DurasamplIR II |
| Apodization Function | Norton-Beer, medium |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H26BrN3O3 |
| InChI | InChI=1S/C19H26BrN3O3/c1-6-7-10-23-14-9-8-12(20)11-13(14)15(22-23)17(24)21-16(18(25)26-5)19(2,3)4/h8-9,11,16H,6-7,10H2,1-5H3,(H,21,24)/t16-/m1/s1 |
| InChIKey | NKCFVJNTALOWGJ-MRXNPFEDSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | N(C(c1n[n](c2c1cc(cc2)Br)CCCC)=O)[C@@](C(C)(C)C)(C(OC)=O)[H] |
| Source of Spectrum | Forensic Spectral Research |
| Technique | ATR-Neat |