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1.alpha.-Chloro-2.beta.,3.beta.-epoxy-4.beta.-[(benzyloxycarbonyl)amino]cycloheptane
SpectraBase Compound ID 526EPP89ImR
InChI InChI=1S/C15H18ClNO3/c16-11-7-4-8-12(14-13(11)20-14)17-15(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2,(H,17,18)/t11-,12-,13+,14-/m1/s1
InChIKey IPFWQZYCUAMBKX-YIYPIFLZSA-N
Mol Weight 295.77 g/mol
Molecular Formula C15H18ClNO3
Exact Mass 295.097521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CDFauE3Vlm
Name 1.alpha.-Chloro-2.beta.,3.beta.-epoxy-4.beta.-[(benzyloxycarbonyl)amino]cycloheptane
Alternate Name(s) benzyl (1R,2R,6R,7R)-6-chloro-8-oxabicyclo[5.1.0]oct-2-ylcarbamate
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Formula C15H18ClNO3
InChI InChI=1S/C15H18ClNO3/c16-11-7-4-8-12(14-13(11)20-14)17-15(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2,(H,17,18)/t11-,12-,13+,14-/m1/s1
InChIKey IPFWQZYCUAMBKX-YIYPIFLZSA-N
Molecular Weight 295.766 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@]1([C@]2(O[C@]2([C@](Cl)(CCC1)[H])[H])[H])[H]
SPLASH splash10-052f-9400000000-63b9839690da239ef1ae
Source of Spectrum F-52-11971-14
Wiley ID 798621