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3.beta.-(benzoyloxy)-1.beta.-([(benzyloxy)carbonyl]amino)-5.alpha.-chlorocycloheptane
SpectraBase Compound ID GQGz6dlQVrm
InChI InChI=1S/C22H24ClNO4/c23-18-11-12-19(24-22(26)27-15-16-7-3-1-4-8-16)14-20(13-18)28-21(25)17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,24,26)/t18-,19-,20+/m1/s1
InChIKey YILHFYAKXQWCCZ-AQNXPRMDSA-N
Mol Weight 401.89 g/mol
Molecular Formula C22H24ClNO4
Exact Mass 401.139386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LoHU8glj8ep
Name 3.beta.-(benzoyloxy)-1.beta.-([(benzyloxy)carbonyl]amino)-5.alpha.-chlorocycloheptane
Alternate Name(s) (1R,3R,6R)-3-{[(benzyloxy)carbonyl]amino}-6-chlorocycloheptyl benzoate
CAS Registry Number 95687-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24ClNO4
InChI InChI=1S/C22H24ClNO4/c23-18-11-12-19(24-22(26)27-15-16-7-3-1-4-8-16)14-20(13-18)28-21(25)17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,24,26)/t18-,19-,20+/m1/s1
InChIKey YILHFYAKXQWCCZ-AQNXPRMDSA-N
Molecular Weight 401.890 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@]1(C[C@@](OC(=O)c2ccccc2)(C[C@](Cl)(CC1)[H])[H])[H]
SPLASH splash10-05fx-4900000000-104de847dce94a4a115e
Source of Spectrum J-50-1825-42
Wiley ID 1369982