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1,3,5,11,13,15-Cycloheptadecahexaene-7,9-diyne, 17-(dichloromethylene)-6,11-dimethyl-, (E,E,Z,Z,E,E)-
SpectraBase Compound ID 83dax6tRZO5
InChI InChI=1S/C20H16Cl2/c1-17-11-5-3-7-15-19(20(21)22)16-8-4-6-12-18(2)14-10-9-13-17/h3-8,11-12,15-16H,1-2H3/b5-3-,6-4-,15-7-,16-8-,17-11-,18-12-
InChIKey MDVLBFMYHACMTM-OCOGLAPMSA-N
Mol Weight 327.25 g/mol
Molecular Formula C20H16Cl2
Exact Mass 326.062906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bn21mmoXlsk
Name 1,3,5,11,13,15-Cycloheptadecahexaene-7,9-diyne, 17-(dichloromethylene)-6,11-dimethyl-, (E,E,Z,Z,E,E)-
CAS Registry Number 89004-99-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16Cl2
InChI InChI=1S/C20H16Cl2/c1-17-11-5-3-7-15-19(20(21)22)16-8-4-6-12-18(2)14-10-9-13-17/h3-8,11-12,15-16H,1-2H3/b5-3-,6-4-,15-7-,16-8-,17-11-,18-12-
InChIKey MDVLBFMYHACMTM-OCOGLAPMSA-N
Molecular Weight 327.254 g/mol
SMILES C(=C1\C=C/C=C\C=C/(C#CC#C\C(=C/C=C\C=C/1)C)C)(Cl)Cl
SPLASH splash10-004i-0019000000-7334cacefbe64068bff5
Source of Spectrum KC-1983-3002-0
Synonyms 17-(dichloromethylene)-6,11-dimethyl-1,3,5,11,13,15-cycloheptadecahexaene-7,9-diyne 17-Dichloromethylene-6,11-dimethyl-7,8,9,10-tetradehydrocycloheptadecene
Wiley ID 1324928