(1R,3S)-3-Methyl-1,3-bis(N,N-dibutylamino)-2-[(4-tert-butyl-2-oxotetrahydrooxazolyl)carbonyl]cyclohexane

SpectraBase Compound ID	i2MdmjgTY8
InChI	InChI=1S/C31H59N3O3/c1-9-13-20-32(21-14-10-2)25-18-17-19-31(8,33(22-15-11-3)23-16-12-4)27(25)28(35)34-26(30(5,6)7)24-37-29(34)36/h25-27H,9-24H2,1-8H3/t25-,26?,27?,31+/m1/s1
InChIKey	FMCUXQFYTHDUEW-SGYPQLHHSA-N Google Search
Mol Weight	521.8 g/mol
Molecular Formula	C31H59N3O3
Exact Mass	521.455643 g/mol

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SpectraBase Spectrum ID	Dc4rZrz7D9b
Name	(1R,3S)-3-Methyl-1,3-bis(N,N-dibutylamino)-2-[(4-tert-butyl-2-oxotetrahydrooxazolyl)carbonyl]cyclohexane
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	521.455642769 u
Formula	C31H59N3O3
InChI	InChI=1S/C31H59N3O3/c1-9-13-20-32(21-14-10-2)25-18-17-19-31(8,33(22-15-11-3)23-16-12-4)27(25)28(35)34-26(30(5,6)7)24-37-29(34)36/h25-27H,9-24H2,1-8H3/t25-,26?,27?,31+/m1/s1
InChIKey	FMCUXQFYTHDUEW-SGYPQLHHSA-N
Molecular Weight	521.831 g/mol
SMILES	C(N1C(OCC1C(C)(C)C)=O)(C1[C@@](N(CCCC)CCCC)(CCC[C@]1(N(CCCC)CCCC)[H])C)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.963226