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MCHB-1
SpectraBase Compound ID 97yUPO3zbN7
InChI InChI=1S/C28H37N3O2/c1-4-30(5-2)28(32)23-14-17-26-25(19-23)29-27(31(26)20-22-10-8-7-9-11-22)18-21-12-15-24(16-13-21)33-6-3/h12-17,19,22H,4-11,18,20H2,1-3H3
InChIKey WRVZBXHTUOPQJS-UHFFFAOYSA-N
Mol Weight 447.6 g/mol
Molecular Formula C28H37N3O2
Exact Mass 447.288577 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7YL0mYLWgXP
Name MCHB-1
Source of Sample Cayman Chemical Company
Catalog Number 9001949
Lot Number 0458838-5
CAS Registry Number 1046140-32-2
Cell Type Capillary tube
Compound Type Pure
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Formula C28H37N3O2
IUPAC Name 1-(Cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1H-benzimidazole-5-carboxamide
InChI InChI=1S/C28H37N3O2/c1-4-30(5-2)28(32)23-14-17-26-25(19-23)29-27(31(26)20-22-10-8-7-9-11-22)18-21-12-15-24(16-13-21)33-6-3/h12-17,19,22H,4-11,18,20H2,1-3H3
InChIKey WRVZBXHTUOPQJS-UHFFFAOYSA-N
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 597 mW
Raman Laser Source Nd:YAG
SMILES c1(cc2c(cc1)[n](c(n2)Cc1ccc(cc1)OCC)CC1CCCCC1)C(N(CC)CC)=O
Scans Performed 2112
Source of Spectrum Forensic Spectral Research
Synonyms N-Methylcyclohexyl benzimidazole analog 1
Technique FT-Raman