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Picolinyl 12,13-epoxyoctadeca-9-enoate

View entire compound with spectra: 1 NMR, and 1 FTIR

Picolinyl 12,13-epoxyoctadeca-9-enoate
SpectraBase Compound ID J6jIs7uMLxm
InChI InChI=1S/C24H37NO3/c1-2-3-10-15-22-23(28-22)16-11-8-6-4-5-7-9-12-17-24(26)27-20-21-14-13-18-25-19-21/h8,11,13-14,18-19,22-23H,2-7,9-10,12,15-17,20H2,1H3/b11-8-
InChIKey NVYFGLCXYATECF-FLIBITNWSA-N
Mol Weight 387.6 g/mol
Molecular Formula C24H37NO3
Exact Mass 387.277344 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CtgBXsLYsiB
Name Picolinyl 12,13-epoxyoctadeca-9-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.277344052 u
Formula C24H37NO3
InChI InChI=1S/C24H37NO3/c1-2-3-10-15-22-23(28-22)16-11-8-6-4-5-7-9-12-17-24(26)27-20-21-14-13-18-25-19-21/h8,11,13-14,18-19,22-23H,2-7,9-10,12,15-17,20H2,1H3/b11-8-
InChIKey NVYFGLCXYATECF-FLIBITNWSA-N
Molecular Weight 387.564 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)CCCCC\C=C/CC1C(CCCCC)O1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942555