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bicyclo[1.1.1]pent-1-ylcubane
SpectraBase Compound ID 4oxnZZ7UjV5
InChI InChI=1S/C13H14/c1-4-2-12(1,3-4)13-9-6-5-7(9)11(13)8(5)10(6)13/h4-11H,1-3H2
InChIKey KNWDPGKAMWVRBI-UHFFFAOYSA-N
Mol Weight 170.25 g/mol
Molecular Formula C13H14
Exact Mass 170.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eQGFxD5i9g
Name bicyclo[1.1.1]pent-1-ylcubane
Alternate Name(s) 1-bicyclo[1.1.1]pent-1-ylcubane
CAS Registry Number 124381-10-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14
InChI InChI=1S/C13H14/c1-4-2-12(1,3-4)13-9-6-5-7(9)11(13)8(5)10(6)13/h4-11H,1-3H2
InChIKey KNWDPGKAMWVRBI-UHFFFAOYSA-N
Molecular Weight 170.255 g/mol
SMILES C12(C3C4C2C2C4C3C12)C12CC(C2)C1
SPLASH splash10-0ufr-9300000000-82c63f24b499672091e1
Source of Spectrum J-55-1015-6
Wiley ID 1167676