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Heptabarbital
SpectraBase Compound ID A2vxXSayUqN
InChI InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)
InChIKey PAZQYDJGLKSCSI-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C13H18N2O3
Exact Mass 250.131742 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4y0dITKhPtz
Name Heptabarbital
Source of Sample Cayman Chemical Company
Catalog Number 32706
Lot Number 0619037-4
CAS Registry Number 509-86-4
Cell Type Neat on gold post
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Formula C13H18N2O3
InChI InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)
InChIKey PAZQYDJGLKSCSI-UHFFFAOYSA-N
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Source Nd:YAG
SMILES N1C(C(C(=O)NC1=O)(C1=CCCCCC1)CC)=O
Scans Performed 2432
Source of Spectrum Forensic Spectral Research
Technique FT-Raman