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trans-1-([(benzyloxy)carbonyl]amino)-4-chlorocycloheptane
SpectraBase Compound ID 7JSHEpF4MAW
InChI InChI=1S/C15H20ClNO2/c16-13-7-4-8-14(10-9-13)17-15(18)19-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,17,18)/t13-,14-/m1/s1
InChIKey GGGZVRFOBRLTJF-ZIAGYGMSSA-N
Mol Weight 281.78 g/mol
Molecular Formula C15H20ClNO2
Exact Mass 281.118257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdS4c5BULkO
Name trans-1-([(benzyloxy)carbonyl]amino)-4-chlorocycloheptane
Alternate Name(s) benzyl (1R,4R)-4-chlorocycloheptylcarbamate
CAS Registry Number 95798-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20ClNO2
InChI InChI=1S/C15H20ClNO2/c16-13-7-4-8-14(10-9-13)17-15(18)19-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,17,18)/t13-,14-/m1/s1
InChIKey GGGZVRFOBRLTJF-ZIAGYGMSSA-N
Molecular Weight 281.783 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@]1(CC[C@](Cl)(CCC1)[H])[H]
SPLASH splash10-052f-6910000000-2b036d573d3f8486b725
Source of Spectrum J-50-1823-0
Wiley ID 1284843