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1.beta.-Acetoxy-4.beta.-chloro-6.alpha.-(benzyloxy)-2-cycloheptene
SpectraBase Compound ID SbdUP52JaS
InChI InChI=1S/C16H19ClO3/c1-12(18)20-15-8-7-14(17)9-16(10-15)19-11-13-5-3-2-4-6-13/h2-8,14-16H,9-11H2,1H3/t14-,15+,16+/m1/s1
InChIKey ILSMKLIYDFDHNK-PMPSAXMXSA-N
Mol Weight 294.78 g/mol
Molecular Formula C16H19ClO3
Exact Mass 294.102272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iELhrSURNV
Name 1.beta.-Acetoxy-4.beta.-chloro-6.alpha.-(benzyloxy)-2-cycloheptene
Alternate Name(s) (1R,4S,6R)-6-(benzyloxy)-4-chloro-2-cyclohepten-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19ClO3
InChI InChI=1S/C16H19ClO3/c1-12(18)20-15-8-7-14(17)9-16(10-15)19-11-13-5-3-2-4-6-13/h2-8,14-16H,9-11H2,1H3/t14-,15+,16+/m1/s1
InChIKey ILSMKLIYDFDHNK-PMPSAXMXSA-N
Molecular Weight 294.778 g/mol
SMILES C1=C[C@](C[C@@](C[C@]1(OC(=O)C)[H])(OCc1ccccc1)[H])(Cl)[H]
SPLASH splash10-0006-9400000000-5627a4397c893707e398
Source of Spectrum J-56-2772-7
Wiley ID 1297085