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N-(1-(Ethylthio)-5-hydroxy-5-(2-propenyl-7-octenyl)-2,2-dimethylpropaneamide

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

N-(1-(Ethylthio)-5-hydroxy-5-(2-propenyl-7-octenyl)-2,2-dimethylpropaneamide
SpectraBase Compound ID Ar0502Z8Wkk
InChI InChI=1S/C18H33NO2S/c1-7-12-18(21,13-8-2)14-10-11-15(22-9-3)19-16(20)17(4,5)6/h7-8,15,21H,1-2,9-14H2,3-6H3,(H,19,20)
InChIKey QBIQNFXMJWOERE-UHFFFAOYSA-N
Mol Weight 327.5 g/mol
Molecular Formula C18H33NO2S
Exact Mass 327.2232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F7yxviLjEBD
Name N-(1-(Ethylthio)-5-hydroxy-5-(2-propenyl-7-octenyl)-2,2-dimethylpropaneamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.223200479 u
Formula C18H33NO2S
InChI InChI=1S/C18H33NO2S/c1-7-12-18(21,13-8-2)14-10-11-15(22-9-3)19-16(20)17(4,5)6/h7-8,15,21H,1-2,9-14H2,3-6H3,(H,19,20)
InChIKey QBIQNFXMJWOERE-UHFFFAOYSA-N
Molecular Weight 327.527 g/mol
SMILES C(NC(SCC)CCCC(O)(CC=C)CC=C)(C(C)(C)C)=O