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1,5-Cyclooctadiene, 3-(1-methyl-2-propenyl)-
SpectraBase Compound ID H6q0xx9alVu
InChI InChI=1S/C12H18/c1-3-11(2)12-9-7-5-4-6-8-10-12/h3,5,7-8,10-12H,1,4,6,9H2,2H3/b7-5-,10-8-
InChIKey XDAVQTXWOCTEPO-RRMOSLQNSA-N
Mol Weight 162.28 g/mol
Molecular Formula C12H18
Exact Mass 162.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfoOexTjhNN
Name 1,5-Cyclooctadiene, 3-(1-methyl-2-propenyl)-
Alternate Name(s) 3-(1-Methyl-2-propenyl)-1,5-cyclooctadiene (1Z,5Z)-3-(1-methylallyl)cycloocta-1,5-diene (1Z,5Z)-3-but-3-en-2-ylcycloocta-1,5-diene
CAS Registry Number 16538-88-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18
InChI InChI=1S/C12H18/c1-3-11(2)12-9-7-5-4-6-8-10-12/h3,5,7-8,10-12H,1,4,6,9H2,2H3/b7-5-,10-8-
InChIKey XDAVQTXWOCTEPO-RRMOSLQNSA-N
Molecular Weight 162.276 g/mol
SMILES C1\C=C/CC\C=C/C1C(C)C=C
SPLASH splash10-004l-9100000000-95a944cc038dcae51cf3
Wiley ID 1501908