For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-3-(2-propenyl)-, (1.alpha.,2.beta.,3.alpha.,5.alpha.)-
SpectraBase Compound ID 5JMrtz7OjG2
InChI InChI=1S/C13H22/c1-5-6-10-7-11-8-12(9(10)2)13(11,3)4/h5,9-12H,1,6-8H2,2-4H3/t9?,10?,11-,12-/m1/s1
InChIKey IKMZOQZLQUAFMZ-KIDURHIOSA-N
Mol Weight 178.32 g/mol
Molecular Formula C13H22
Exact Mass 178.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID gh8YXP9Uvg
Name Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-3-(2-propenyl)-, (1.alpha.,2.beta.,3.alpha.,5.alpha.)-
CAS Registry Number 50746-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22
InChI InChI=1S/C13H22/c1-5-6-10-7-11-8-12(9(10)2)13(11,3)4/h5,9-12H,1,6-8H2,2-4H3/t9?,10?,11-,12-/m1/s1
InChIKey IKMZOQZLQUAFMZ-KIDURHIOSA-N
Molecular Weight 178.319 g/mol
SMILES CC1(C)[C@@]2(C[C@]1(CC(C2C)CC=C)[H])[H]
SPLASH splash10-00nf-9100000000-69183f3ba4adf95069ad
Source of Spectrum EP-2724-0-0
Synonyms 3-Allyl-2,6,6-trimethylbicyclo[3.1.1]heptane 3-Allyl-2,6,6-trimethyl-norpinane 4,6,6-trimethyl-3-prop-2-enyl-bicyclo[3.1.1]heptane
Wiley ID 1174873