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3-Hexyltricyclo[2.2.1.0^2,6]heptane
SpectraBase Compound ID 9kgYPoIah3Z
InChI InChI=1S/C13H22/c1-2-3-4-5-6-10-9-7-11-12(8-9)13(10)11/h9-13H,2-8H2,1H3
InChIKey SGPMRSXZKJNXIJ-UHFFFAOYSA-N
Mol Weight 178.32 g/mol
Molecular Formula C13H22
Exact Mass 178.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NDipfD4Vc
Name 3-Hexyltricyclo[2.2.1.0^2,6]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22
InChI InChI=1S/C13H22/c1-2-3-4-5-6-10-9-7-11-12(8-9)13(10)11/h9-13H,2-8H2,1H3
InChIKey SGPMRSXZKJNXIJ-UHFFFAOYSA-N
Molecular Weight 178.319 g/mol
SMILES C12C3CC(C2)C(C13)CCCCCC
SPLASH splash10-00mo-9100000000-5c636c4a1fa65fa0effd
Source of Spectrum NW-2499-0-0
Synonyms 3-Hexyltricyclo[2.2.1.0(2,6)]heptane
Wiley ID 1174902