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BB-22 4-hydroxyisoquinoline isomer
SpectraBase Compound ID 2j2dxwBRRq3
InChI InChI=1S/C25H24N2O2/c28-25(29-24-15-26-14-19-10-4-5-11-20(19)24)22-17-27(16-18-8-2-1-3-9-18)23-13-7-6-12-21(22)23/h4-7,10-15,17-18H,1-3,8-9,16H2
InChIKey RTMDZYWZLPOXLY-UHFFFAOYSA-N
Mol Weight 384.48 g/mol
Molecular Formula C25H24N2O2
Exact Mass 384.183778 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID G712pdOy5AA
Name BB-22 4-hydroxyisoquinoline isomer
Source of Sample Cayman Chemical Company
Catalog Number 14541
Lot Number 0448519-11
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
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Formula C25H24N2O2
IUPAC Name Isoquinolin-4-yl 1-(cyclohexylmethyl)-1H-indole-3-carboxylate
InChI InChI=1S/C25H24N2O2/c28-25(29-24-15-26-14-19-10-4-5-11-20(19)24)22-17-27(16-18-8-2-1-3-9-18)23-13-7-6-12-21(22)23/h4-7,10-15,17-18H,1-3,8-9,16H2
InChIKey RTMDZYWZLPOXLY-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 384.479 g/mol
Purity >=98%
SMILES c12c(c[n](c2cccc1)CC1CCCCC1)C(=O)Oc1c2c(cnc1)cccc2
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat
UV - Neutral Conditions UVmax (nm): 216, 296