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(2R)-2-(Ethoxycarbonylamino)cyclohexanone (1S,2S)-Diphenylethylene Acetal
SpectraBase Compound ID F5ITcYZ68oY
InChI InChI=1S/C23H27NO4/c1-2-26-21(25)24-20-15-9-10-16-23(20)27-17-22(28-23,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20H,2,9-10,15-17H2,1H3,(H,24,25)/t20-,23+/m1/s1
InChIKey PTIKMLRDTUNXQZ-OFNKIYASSA-N
Mol Weight 381.47 g/mol
Molecular Formula C23H27NO4
Exact Mass 381.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JITH4sCagfS
Name (2R)-2-(Ethoxycarbonylamino)cyclohexanone (1S,2S)-Diphenylethylene Acetal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27NO4
InChI InChI=1S/C23H27NO4/c1-2-26-21(25)24-20-15-9-10-16-23(20)27-17-22(28-23,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20H,2,9-10,15-17H2,1H3,(H,24,25)/t20-,23+/m1/s1
InChIKey PTIKMLRDTUNXQZ-OFNKIYASSA-N
Molecular Weight 381.472 g/mol
SMILES N(C(=O)OCC)[C@]1([C@@]2(OC(CO2)(c2ccccc2)c2ccccc2)CCCC1)[H]
SPLASH splash10-003r-2900000000-7a548c41eaee9fa11f29
Source of Spectrum F-47-5881-3
Synonyms Ethyl (5S,6R)-2,2-diphenyl-1,4-dioxaspiro[4.5]dec-6-ylcarbamate
Wiley ID 1360244