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3C-p Prop

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

3C-p Prop
SpectraBase Compound ID KXqZZDf6Avh
InChI InChI=1S/C17H27NO4/c1-6-8-22-17-14(20-4)10-13(11-15(17)21-5)9-12(3)18-16(19)7-2/h10-12H,6-9H2,1-5H3,(H,18,19)
InChIKey JGSZVDRGTCDCBA-UHFFFAOYSA-N
Mol Weight 309.41 g/mol
Molecular Formula C17H27NO4
Exact Mass 309.194008 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9lZi2d46EWd
Name 3C-p Prop
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.194008349 u
Formula C17H27NO4
InChI InChI=1S/C17H27NO4/c1-6-8-22-17-14(20-4)10-13(11-15(17)21-5)9-12(3)18-16(19)7-2/h10-12H,6-9H2,1-5H3,(H,18,19)
InChIKey JGSZVDRGTCDCBA-UHFFFAOYSA-N
Molecular Weight 309.406 g/mol
SMILES C1(=C(C=C(C=C1OC)CC(NC(CC)=O)C)OC)OCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906655