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2-(4-oxo-4-(2,6,6-trimethylcyclohex-3-enyl)but-2-ylamino)-3-(4-oxo-4-(2,6,6-Trimethylcyclohex-3-enyl)but-2-ylthio)ethyl propionate

View entire compound with spectra: 1 MS (GC)

2-(4-oxo-4-(2,6,6-trimethylcyclohex-3-enyl)but-2-ylamino)-3-(4-oxo-4-(2,6,6-Trimethylcyclohex-3-enyl)but-2-ylthio)ethyl propionate
SpectraBase Compound ID 4SYoNRSHylq
InChI InChI=1S/C31H51NO4S/c1-10-36-29(35)24(32-22(4)17-25(33)27-20(2)13-11-15-30(27,6)7)19-37-23(5)18-26(34)28-21(3)14-12-16-31(28,8)9/h11-14,20-24,27-28,32H,10,15-19H2,1-9H3/t20?,21?,22?,23?,24-,27?,28?/m0/s1
InChIKey MASNPXAAIBUFLF-BPURVKQKSA-N
Mol Weight 533.8 g/mol
Molecular Formula C31H51NO4S
Exact Mass 533.35388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkDSIn6SoHB
Name 2-(4-oxo-4-(2,6,6-trimethylcyclohex-3-enyl)but-2-ylamino)-3-(4-oxo-4-(2,6,6-Trimethylcyclohex-3-enyl)but-2-ylthio)ethyl propionate
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H51NO4S
InChI InChI=1S/C31H51NO4S/c1-10-36-29(35)24(32-22(4)17-25(33)27-20(2)13-11-15-30(27,6)7)19-37-23(5)18-26(34)28-21(3)14-12-16-31(28,8)9/h11-14,20-24,27-28,32H,10,15-19H2,1-9H3/t20?,21?,22?,23?,24-,27?,28?/m0/s1
InChIKey MASNPXAAIBUFLF-BPURVKQKSA-N
Instrument Name Agilent 6890
Ionization Type EI
Molecular Weight 533.812 g/mol
SMILES N(C(CC(C1C(C=CCC1(C)C)C)=O)C)[C@@](CSC(C)CC(C1C(C=CCC1(C)C)C)=O)(C(=O)OCC)[H]
SPLASH splash10-000x-0790100000-82acc56baa6eeed799a4
Source of Spectrum CN101679231A
Wiley ID 1841488