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6-Heptadecyl-5,6-dihydro-2H-pyran-2-one

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

6-Heptadecyl-5,6-dihydro-2H-pyran-2-one
SpectraBase Compound ID KfBgavKHKv8
InChI InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(23)24-21/h17,20-21H,2-16,18-19H2,1H3
InChIKey NSZKHBCGGRXTEX-UHFFFAOYSA-N
Mol Weight 336.6 g/mol
Molecular Formula C22H40O2
Exact Mass 336.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1O20Ox1vLoH
Name 6-Heptadecyl-5,6-dihydro-2H-pyran-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.302830526 u
Formula C22H40O2
InChI InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(23)24-21/h17,20-21H,2-16,18-19H2,1H3
InChIKey NSZKHBCGGRXTEX-UHFFFAOYSA-N
Molecular Weight 336.560 g/mol
SMILES C1(C=CCC(O1)CCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882832