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1,1'-(3-allylhepta-3,6-dien-1-yne-1,4-diyl)dicyclohex-1-ene
SpectraBase Compound ID FW4P4Xoe5qk
InChI InChI=1S/C22H28/c1-3-11-20(18-17-19-13-7-5-8-14-19)22(12-4-2)21-15-9-6-10-16-21/h3-4,13,15H,1-2,5-12,14,16H2/b22-20+
InChIKey IQIHEPDGXKXZKO-LSDHQDQOSA-N
Mol Weight 292.47 g/mol
Molecular Formula C22H28
Exact Mass 292.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmxttjUpiOx
Name 1,1'-(3-allylhepta-3,6-dien-1-yne-1,4-diyl)dicyclohex-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28
InChI InChI=1S/C22H28/c1-3-11-20(18-17-19-13-7-5-8-14-19)22(12-4-2)21-15-9-6-10-16-21/h3-4,13,15H,1-2,5-12,14,16H2/b22-20+
InChIKey IQIHEPDGXKXZKO-LSDHQDQOSA-N
Literature Reference DOI 10.1002/adsc.201000430
Molecular Weight 292.466 g/mol
SMILES C1(\C(=C/(CC=C)C#CC=2CCCCC2)CC=C)=CCCCC1
SPLASH splash10-0fr6-1790000000-c6c344812f3199a5704e
Source of Spectrum ASC-352-2887/SM10-3d
Synonyms (E)-1,1'-(3-allylhepta-3,6-dien-1-yne-1,4-diyl)dicyclohex-1-ene
Wiley ID 1764098