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(2S,2' S)-{N-[2'-(Ethylamino)-3'-phenylpropionyl}bornane-10,12-sultam
SpectraBase Compound ID 3I852whM2dg
InChI InChI=1S/C21H30N2O3S/c1-4-22-17(12-15-8-6-5-7-9-15)19(24)23-18-13-16-10-11-21(18,20(16,2)3)14-27(23,25)26/h5-9,16-18,22H,4,10-14H2,1-3H3/t16-,17-,18-,21-/m0/s1
InChIKey BPDIYIPGDCXYRT-NTLWEQJWSA-N
Mol Weight 390.54 g/mol
Molecular Formula C21H30N2O3S
Exact Mass 390.197714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqByHkWUaSH
Name (2S,2' S)-{N-[2'-(Ethylamino)-3'-phenylpropionyl}bornane-10,12-sultam
Alternate Name(s) (2S)-1-[(5S)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]-N-ethyl-1-oxo-3-phenyl-2-propanamine N-{(1S)-1-benzyl-2-[(5S)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]-2-oxoethyl}-N-ethylamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N2O3S
InChI InChI=1S/C21H30N2O3S/c1-4-22-17(12-15-8-6-5-7-9-15)19(24)23-18-13-16-10-11-21(18,20(16,2)3)14-27(23,25)26/h5-9,16-18,22H,4,10-14H2,1-3H3/t16-,17-,18-,21-/m0/s1
InChIKey BPDIYIPGDCXYRT-NTLWEQJWSA-N
Molecular Weight 390.542 g/mol
SMILES N([C@](C(N1S(C[C@]23C([C@@](CC3)(C[C@]12[H])[H])(C)C)(=O)=O)=O)(Cc1ccccc1)[H])CC
SPLASH splash10-0002-4900000000-1a6e6f215ba42b4bc18f
Source of Spectrum H-76-194-6
Wiley ID 1364801