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bz Prop
SpectraBase Compound ID 7PGwHXjirOD
InChI InChI=1S/C20H25NO4/c1-4-19(22)21-11-10-16-12-17(23-2)20(18(13-16)24-3)25-14-15-8-6-5-7-9-15/h5-9,12-13H,4,10-11,14H2,1-3H3,(H,21,22)
InChIKey OQSUNYQNFVILOM-UHFFFAOYSA-N
Mol Weight 343.42 g/mol
Molecular Formula C20H25NO4
Exact Mass 343.178358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6NVc9IrrnE2
Name bz Prop
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 343.178358285 u
Formula C20H25NO4
InChI InChI=1S/C20H25NO4/c1-4-19(22)21-11-10-16-12-17(23-2)20(18(13-16)24-3)25-14-15-8-6-5-7-9-15/h5-9,12-13H,4,10-11,14H2,1-3H3,(H,21,22)
InChIKey OQSUNYQNFVILOM-UHFFFAOYSA-N
Molecular Weight 343.423 g/mol
SMILES C1(=C(C=C(C=C1OC)CCNC(CC)=O)OC)OCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94683