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4-cis-(Dichloromethyl)tricyclo[5.2.1.0(2,6)]dec-8-en-3-rel-carboxylic acid
SpectraBase Compound ID 5qCOm6bvYmS
InChI InChI=1S/C12H14Cl2O2/c13-11(14)8-4-7-5-1-2-6(3-5)9(7)10(8)12(15)16/h1-2,5-11H,3-4H2,(H,15,16)/t5-,6+,7+,8+,9+,10+/m0/s1
InChIKey NWFPGHPMUTXURU-IHICSVBISA-N
Mol Weight 261.15 g/mol
Molecular Formula C12H14Cl2O2
Exact Mass 260.037085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxhyhK3gKPz
Name 4-cis-(Dichloromethyl)tricyclo[5.2.1.0(2,6)]dec-8-en-3-rel-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14Cl2O2
InChI InChI=1S/C12H14Cl2O2/c13-11(14)8-4-7-5-1-2-6(3-5)9(7)10(8)12(15)16/h1-2,5-11H,3-4H2,(H,15,16)/t5-,6+,7+,8+,9+,10+/m0/s1
InChIKey NWFPGHPMUTXURU-IHICSVBISA-N
Literature Reference DOI 10.1002/cber.19781110929
Molecular Weight 261.148 g/mol
SMILES OC([C@@]1([C@@](C[C@]2([C@]1([C@]1(C[C@@]2(C=C1)[H])[H])[H])[H])(C(Cl)Cl)[H])[H])=O
SPLASH splash10-014i-9130000000-e42e2334a537543c007f
Source of Spectrum K-111-3270-6a
Synonyms (1S,2R,3aR,4S,7R,7aS)-2-(dichloromethyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene-1-carboxylic acid
Wiley ID 1794281