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Tetracyclo[4.1.0.02,4.03,5]heptane, 3-chloro-, stereoisomer
SpectraBase Compound ID DNMBWt6a6so
InChI InChI=1S/C7H7Cl/c8-7-4-2-1-3(2)5(7)6(4)7/h2-6H,1H2/t2-,3+,4?,5?,6+,7+
InChIKey OXNDHZUCSRIJSU-GEQUWIRTSA-N
Mol Weight 126.59 g/mol
Molecular Formula C7H7Cl
Exact Mass 126.023628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dT783CkxBG
Name Tetracyclo[4.1.0.02,4.03,5]heptane, 3-chloro-, stereoisomer
CAS Registry Number 99882-12-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7Cl
InChI InChI=1S/C7H7Cl/c8-7-4-2-1-3(2)5(7)6(4)7/h2-6H,1H2/t2-,3+,4?,5?,6+,7+
InChIKey OXNDHZUCSRIJSU-GEQUWIRTSA-N
Molecular Weight 126.586 g/mol
SMILES [C@]12(C3[C@@]4([H])[C@@](C2[C@]13[H])(C4)[H])Cl
SPLASH splash10-00dl-9100000000-46abc2d4e1cb01cf550a
Source of Spectrum K-118-3522-11
Synonyms (1R,6S)-3-chlorotetracyclo[4.1.0.0(2,4).0(3,5)]heptane cis-3-chlotetracyclo[4.1.0.0(2,4).0(3,5)]heptan
Wiley ID 1129825