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(3S)-3-(benzyloxycarbonylamino)-3-phenyl-propane-1-sulfonic acid cyclohexyl ester
SpectraBase Compound ID 9z9IA3s8Ex1
InChI InChI=1S/C23H29NO5S/c25-23(28-18-19-10-4-1-5-11-19)24-22(20-12-6-2-7-13-20)16-17-30(26,27)29-21-14-8-3-9-15-21/h1-2,4-7,10-13,21-22H,3,8-9,14-18H2,(H,24,25)/t22-/m0/s1
InChIKey ZHHIRJCKDKRVEV-QFIPXVFZSA-N
Mol Weight 431.55 g/mol
Molecular Formula C23H29NO5S
Exact Mass 431.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6b3myh6Go1o
Name (3S)-3-(benzyloxycarbonylamino)-3-phenyl-propane-1-sulfonic acid cyclohexyl ester
Alternate Name(s) (3S)-3-phenyl-3-(phenylmethoxycarbonylamino)-1-propanesulfonic acid cyclohexyl (3S)-3-(benzyloxycarbonylamino)-3-phenyl-propane-1-sulfonate cyclohexyl (3S)-3-phenyl-3-(phenylmethoxycarbonylamino)propane-1-sulfonate
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Formula C23H29NO5S
InChI InChI=1S/C23H29NO5S/c25-23(28-18-19-10-4-1-5-11-19)24-22(20-12-6-2-7-13-20)16-17-30(26,27)29-21-14-8-3-9-15-21/h1-2,4-7,10-13,21-22H,3,8-9,14-18H2,(H,24,25)/t22-/m0/s1
InChIKey ZHHIRJCKDKRVEV-QFIPXVFZSA-N
Molecular Weight 431.547 g/mol
SMILES N([C@@](CCS(=O)(=O)OC1CCCCC1)(c1ccccc1)[H])C(=O)OCc1ccccc1
SPLASH splash10-0006-9780000000-74db1c980b3c81ef8482
Source of Spectrum K1-0-1278-5
Wiley ID 1588506