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4,7-Methano-1H-indene-1-carboxylic acid, 2-(dichloromethyl)-2,3,3a,4,7,7a-hexahydro-, (1.alpha.,2.alpha.,3a.beta.,4.beta.,7.beta.,7a.beta.)-
SpectraBase Compound ID EhuaDtWFb6P
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-/m1/s1
InChIKey NWFPGHPMUTXURU-PIAOCPBHSA-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 6HFydBdBWFJ
Name 4,7-Methano-1H-indene-1-carboxylic acid, 2-(dichloromethyl)-2,3,3a,4,7,7a-hexahydro-, (1.alpha.,2.alpha.,3a.beta.,4.beta.,7.beta.,7a.beta.)-
Alternate Name(s) (1R,2R,3S,4R,6R,7S)-4-(dichloromethyl)tricyclo[5.2.1.0(2,6)]dec-8-ene-3-carboxylic acid 4c-(dichloromethyl)tricyclo(5.2.1.0*2,6)dec-8-en-3R-carboxylic acid
CAS Registry Number 68303-86-6
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-/m1/s1
InChIKey NWFPGHPMUTXURU-PIAOCPBHSA-N
Molecular Weight 261.148 g/mol
SMILES OC([C@]1([C@@]2([C@](C[C@]1(C(Cl)Cl)[H])([C@@]1([H])C[C@@]2(C=C1)[H])[H])[H])[H])=O
SPLASH splash10-014i-9120000000-391f16f089e8ea57935e
Source of Spectrum K-111-3269-0
Wiley ID 1263326