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1.alpha.-Chloro-2.beta.,3.beta.-epoxy-4.beta.-[(benzyloxycarbonyl)amino]cyclooctane
SpectraBase Compound ID wnF71kCpVN
InChI InChI=1S/C16H20ClNO3/c17-12-8-4-5-9-13(15-14(12)21-15)18-16(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2,(H,18,19)/t12-,13-,14+,15-/m1/s1
InChIKey ZDHALJIOTTZXPB-APIJFGDWSA-N
Mol Weight 309.79 g/mol
Molecular Formula C16H20ClNO3
Exact Mass 309.113171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24Y2HbVIZDk
Name 1.alpha.-Chloro-2.beta.,3.beta.-epoxy-4.beta.-[(benzyloxycarbonyl)amino]cyclooctane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20ClNO3
InChI InChI=1S/C16H20ClNO3/c17-12-8-4-5-9-13(15-14(12)21-15)18-16(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2,(H,18,19)/t12-,13-,14+,15-/m1/s1
InChIKey ZDHALJIOTTZXPB-APIJFGDWSA-N
Molecular Weight 309.793 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@]1([C@]2(O[C@]2([C@](Cl)(CCCC1)[H])[H])[H])[H]
SPLASH splash10-052f-9224000000-0f4e713b13e369963bf3
Source of Spectrum F-52-11958-22
Synonyms benzyl (1R,2R,7R,8R)-7-chloro-9-oxabicyclo[6.1.0]non-2-ylcarbamate
Wiley ID 798635