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3,5,7,10,12,14-Heptadecahexaene-1,16-diyne, 9-(dichloromethylene)-3,15-dimethyl-, (E,E,Z,Z,E,E)-
SpectraBase Compound ID FW69Ob63i42
InChI InChI=1S/C20H18Cl2/c1-5-17(3)13-9-7-11-15-19(20(21)22)16-12-8-10-14-18(4)6-2/h1-2,7-16H,3-4H3/b9-7+,10-8+,15-11-,16-12-,17-13+,18-14+
InChIKey SQAQKRWGWIZCMX-NGTYWJMJSA-N
Mol Weight 329.27 g/mol
Molecular Formula C20H18Cl2
Exact Mass 328.078556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rHfmrxltvW
Name 3,5,7,10,12,14-Heptadecahexaene-1,16-diyne, 9-(dichloromethylene)-3,15-dimethyl-, (E,E,Z,Z,E,E)-
CAS Registry Number 89004-95-5
Comments Less than 3 mono-isotopic peaks
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Formula C20H18Cl2
InChI InChI=1S/C20H18Cl2/c1-5-17(3)13-9-7-11-15-19(20(21)22)16-12-8-10-14-18(4)6-2/h1-2,7-16H,3-4H3/b9-7+,10-8+,15-11-,16-12-,17-13+,18-14+
InChIKey SQAQKRWGWIZCMX-NGTYWJMJSA-N
Molecular Weight 329.270 g/mol
SMILES C(=C(\C=C/C=C/C=C/(C#C)C)\C=C/C=C/C=C/(C#C)C)(Cl)Cl
SPLASH splash10-004i-0509000000-c8a23365a5d821e8cbc5
Source of Spectrum KC-1983-3002-0
Synonyms (3E,5E,7Z,10Z,12E,14E)-9-(dichloromethylene)-3,15-dimethyl-3,5,7,10,12,14-heptadecahexaene-1,16-diyne 9-Dichloromethylene-3,15-dimethylheptadeca-3,5,7,10,12,14-hexaene-1,16-diyne
Wiley ID 1326463