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8-Methyl-5-(heptanoyl)-indolizidine

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

8-Methyl-5-(heptanoyl)-indolizidine
SpectraBase Compound ID UPv8nrzJVB
InChI InChI=1S/C16H29NO/c1-3-4-5-6-9-16(18)15-11-10-13(2)14-8-7-12-17(14)15/h13-15H,3-12H2,1-2H3
InChIKey DOWOHPSJFKSCFM-UHFFFAOYSA-N
Mol Weight 251.41 g/mol
Molecular Formula C16H29NO
Exact Mass 251.224915 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DGmE1TZpCd0
Name 8-Methyl-5-(heptanoyl)-indolizidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.224914557 u
Formula C16H29NO
InChI InChI=1S/C16H29NO/c1-3-4-5-6-9-16(18)15-11-10-13(2)14-8-7-12-17(14)15/h13-15H,3-12H2,1-2H3
InChIKey DOWOHPSJFKSCFM-UHFFFAOYSA-N
Molecular Weight 251.414 g/mol
SMILES C1(N2C(C(CC1)C)CCC2)C(=O)CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951316