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Tetracyclo[4.1.0.02,4.03,5]heptane, 7-phenyl-, stereoisomer
SpectraBase Compound ID 4iedWki74K6
InChI InChI=1S/C13H12/c1-2-4-6(5-3-1)7-8-9(7)11-12-10(8)13(11)12/h1-5,7-13H/t7?,8?,9?,10?,11?,12-,13+
InChIKey MDQWYQRLNLTYRQ-LJKXAGEUSA-N
Mol Weight 168.24 g/mol
Molecular Formula C13H12
Exact Mass 168.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BkKkntasca
Name Tetracyclo[4.1.0.02,4.03,5]heptane, 7-phenyl-, stereoisomer
Alternate Name(s) 7-Phenyl-tetracyclo[4.1.0.0(2,4).0(3,3)]heptane 7-Phenyltetracyclo[4.1.0.0(2,4).0(3,5)]heptane
CAS Registry Number 77429-87-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12
InChI InChI=1S/C13H12/c1-2-4-6(5-3-1)7-8-9(7)11-12-10(8)13(11)12/h1-5,7-13H/t7?,8?,9?,10?,11?,12-,13+
InChIKey MDQWYQRLNLTYRQ-LJKXAGEUSA-N
Molecular Weight 168.239 g/mol
SMILES C12C(C3[C@]4(C2[C@@]34[H])[H])C1c1ccccc1
SPLASH splash10-014i-0900000000-83d345a573780b77377c
Source of Spectrum F-45-2913-4
Wiley ID 1165551