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Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-diol
SpectraBase Compound ID 9R2IpHlLSFi
InChI InChI=1S/C8H8O2/c9-7-1-2-4(7)6-5(7)3(1)8(2,6)10/h1-6,9-10H
InChIKey JAIUWYQLAJOXPR-UHFFFAOYSA-N
Mol Weight 136.15 g/mol
Molecular Formula C8H8O2
Exact Mass 136.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBfuDJ756km
Name Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-diol
Alternate Name(s) (1s,2R,3r,8S)-cubane-1,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O2
InChI InChI=1S/C8H8O2/c9-7-1-2-4(7)6-5(7)3(1)8(2,6)10/h1-6,9-10H
InChIKey JAIUWYQLAJOXPR-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol901302d
Molecular Weight 136.150 g/mol
SMILES OC12C3C4C5(C3C2C5C14)O
SPLASH splash10-004i-9000000000-bf8afb22df19b323cd39
Source of Spectrum A1-11-3574/SMS3-7
Wiley ID 1757094