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4-Hydroxy NiPT hemifumarate

View entire compound with spectra: 1 FTIR

4-Hydroxy NiPT hemifumarate
SpectraBase Compound ID E4Ics6ePSAp
InChI InChI=1S/2C13H18N2O.C4H4O4/c2*1-9(2)14-7-6-10-8-15-11-4-3-5-12(16)13(10)11;5-3(6)1-2-4(7)8/h2*3-5,8-9,14-16H,6-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChIKey PMQCTYXMANPECQ-WXXKFALUSA-N
Mol Weight 552.67 g/mol
Molecular Formula C30H40N4O6
Exact Mass 552.294785 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID GT4BaCd827p
Name 4-Hydroxy NiPT hemifumarate
Source of Sample Cayman Chemical Company
Catalog Number 36733
Lot Number 0649241-3
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
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Formula C30H40N4O6
InChI InChI=1S/2C13H18N2O.C4H4O4/c2*1-9(2)14-7-6-10-8-15-11-4-3-5-12(16)13(10)11;5-3(6)1-2-4(7)8/h2*3-5,8-9,14-16H,6-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChIKey PMQCTYXMANPECQ-WXXKFALUSA-N
Instrument Name Bio-Rad FTS
SMILES OC(\C=C\C(O)=O)=O.Oc1cccc2c1c(CCNC(C)C)c[nH]2.Oc1cccc2c1c(CCNC(C)C)c[nH]2
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat