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trans-(1S,4S)-4-{Benzyl(phenylsulfonyl)acetyl]amino}cyclohex-2-en-1-yl acetate
SpectraBase Compound ID HhVUcouYBjO
InChI InChI=1S/C23H25NO5S/c1-18(25)29-21-14-12-20(13-15-21)24(16-19-8-4-2-5-9-19)23(26)17-30(27,28)22-10-6-3-7-11-22/h2-12,14,20-21H,13,15-17H2,1H3/t20-,21-/m1/s1
InChIKey VCWVCELHIZESBB-NHCUHLMSSA-N
Mol Weight 427.52 g/mol
Molecular Formula C23H25NO5S
Exact Mass 427.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhHDcSqDUZT
Name trans-(1S,4S)-4-{Benzyl(phenylsulfonyl)acetyl]amino}cyclohex-2-en-1-yl acetate
Alternate Name(s) Acetic acid [(1S,4S)-4-[[2-(benzenesulfonyl)-1-oxoethyl]-(phenylmethyl)amino]-1-cyclohex-2-enyl] ester [(1S,4S)-4-[[2-(benzenesulfonyl)acetyl]-benzylamino]cyclohex-2-en-1-yl] acetate [(1S,4S)-4-[[2-(benzenesulfonyl)acetyl]-benzyl-amino]cyclohex-2-en-1-yl] acetate [(1S,4S)-4-[(phenylmethyl)-[2-(phenylsulfonyl)ethanoyl]amino]cyclohex-2-en-1-yl] ethanoate
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Formula C23H25NO5S
InChI InChI=1S/C23H25NO5S/c1-18(25)29-21-14-12-20(13-15-21)24(16-19-8-4-2-5-9-19)23(26)17-30(27,28)22-10-6-3-7-11-22/h2-12,14,20-21H,13,15-17H2,1H3/t20-,21-/m1/s1
InChIKey VCWVCELHIZESBB-NHCUHLMSSA-N
Molecular Weight 427.515 g/mol
SMILES C(S(=O)(=O)c1ccccc1)C(N([C@@]1(C=C[C@@](OC(=O)C)(CC1)[H])[H])Cc1ccccc1)=O
SPLASH splash10-004i-9102000000-dcccb80d51dc052e4a84
Source of Spectrum K1-2004-2844-6
Wiley ID 1561098