SpectraBase Compound ID | 43txCWaXPI2 |
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InChI | InChI=1S/C23H27N3O3S/c1-23(2,17-11-5-3-6-12-17)24-22(27)21-19-15-9-10-16-20(19)26(25-21)30(28,29)18-13-7-4-8-14-18/h3,5-6,9-12,15-16,18H,4,7-8,13-14H2,1-2H3,(H,24,27) |
InChIKey | ZNRPDVCQZGICAF-UHFFFAOYSA-N |
Mol Weight | 425.55 g/mol |
Molecular Formula | C23H27N3O3S |
Exact Mass | 425.177313 g/mol |
SpectraBase Spectrum ID | AZrbKg82zSO |
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Name | CUMYL-CHSINACA |
Source of Sample | Cayman Chemical Company |
Catalog Number | 37057 |
Lot Number | 0660620-3 |
Accessory | DurasamplIR II |
Apodization Function | Norton-Beer, medium |
Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C23H27N3O3S |
InChI | InChI=1S/C23H27N3O3S/c1-23(2,17-11-5-3-6-12-17)24-22(27)21-19-15-9-10-16-20(19)26(25-21)30(28,29)18-13-7-4-8-14-18/h3,5-6,9-12,15-16,18H,4,7-8,13-14H2,1-2H3,(H,24,27) |
InChIKey | ZNRPDVCQZGICAF-UHFFFAOYSA-N |
Instrument Name | Bio-Rad FTS |
SMILES | N(C(c1n[n](c2c1cccc2)S(C1CCCCC1)(=O)=O)=O)C(c1ccccc1)(C)C |
Source of Spectrum | Forensic Spectral Research |
Technique | ATR-Neat |