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ACHMINACA
SpectraBase Compound ID JQbtnmRezKQ
InChI InChI=1S/C25H33N3O/c29-24(26-25-13-18-10-19(14-25)12-20(11-18)15-25)23-21-8-4-5-9-22(21)28(27-23)16-17-6-2-1-3-7-17/h4-5,8-9,17-20H,1-3,6-7,10-16H2,(H,26,29)/t18-,19+,20-,25-
InChIKey ACFKPINHOINOFB-UWIHHVNISA-N
Mol Weight 391.6 g/mol
Molecular Formula C25H33N3O
Exact Mass 391.262363 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID LkYpbxuMpPC
Name ACHMINACA
Source of Sample Cayman Chemical Company
Catalog Number 25006
Lot Number 0527214-5
Acronyms Adamantyl-CHMINACA
CAS Registry Number 1400742-33-7
Cell Type Capillary tube
Compound Type Pure
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33N3O
IUPAC Name 1-(Cyclohexylmethyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide
InChI InChI=1S/C25H33N3O/c29-24(26-25-13-18-10-19(14-25)12-20(11-18)15-25)23-21-8-4-5-9-22(21)28(27-23)16-17-6-2-1-3-7-17/h4-5,8-9,17-20H,1-3,6-7,10-16H2,(H,26,29)/t18-,19+,20-,25-
InChIKey ACFKPINHOINOFB-UWIHHVNISA-N
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 1401 mW
Raman Laser Source Nd:YAG
SMILES N(C(c1c2c([n](n1)CC1CCCCC1)cccc2)=O)[C@]12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H]
Scans Performed 2240
Source of Spectrum Forensic Spectral Research
Technique FT-Raman