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cis-4-(benzoylamino)-1-[(methylsulfonyl)oxy]cycloheptane
SpectraBase Compound ID IJwyFCTZZmi
InChI InChI=1S/C15H21NO4S/c1-21(18,19)20-14-9-5-8-13(10-11-14)16-15(17)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H,16,17)/t13-,14+/m0/s1
InChIKey SCYLLTPEJQFZCR-UONOGXRCSA-N
Mol Weight 311.4 g/mol
Molecular Formula C15H21NO4S
Exact Mass 311.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12xNKzGYZbg
Name cis-4-(benzoylamino)-1-[(methylsulfonyl)oxy]cycloheptane
CAS Registry Number 95687-92-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO4S
InChI InChI=1S/C15H21NO4S/c1-21(18,19)20-14-9-5-8-13(10-11-14)16-15(17)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H,16,17)/t13-,14+/m0/s1
InChIKey SCYLLTPEJQFZCR-UONOGXRCSA-N
Molecular Weight 311.396 g/mol
SMILES N(C(=O)c1ccccc1)[C@@]1(CC[C@](OS(=O)(=O)C)(CCC1)[H])[H]
SPLASH splash10-0a6r-4910000000-d6dabbffe48666637d3f
Source of Spectrum J-50-1822-0
Synonyms (1R,4S)-4-(benzoylamino)cycloheptyl methanesulfonate
Wiley ID 1312320