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8,8-Dichloro-3,13-dioxaoctacyclo[13.2.1.1(6,10).0(2,14).0(4,17).0(5,11).0(7,9).0(12,16)]nonadecane
SpectraBase Compound ID 7m3HUwajTUe
InChI InChI=1S/C17H18Cl2O2/c18-17(19)11-3-1-4(12(11)17)8-7(3)15-9-5-2-6-10(9)16(8)21-14(6)13(5)20-15/h3-16H,1-2H2/t3?,4?,5-,6+,7?,8?,9-,10+,11?,12?,13+,14-,15+,16-
InChIKey SHOQVEDIXOGIJW-MJGXKUGSSA-N
Mol Weight 325.24 g/mol
Molecular Formula C17H18Cl2O2
Exact Mass 324.068385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pAOYUXwmEY
Name 8,8-Dichloro-3,13-dioxaoctacyclo[13.2.1.1(6,10).0(2,14).0(4,17).0(5,11).0(7,9).0(12,16)]nonadecane
Alternate Name(s) 5,5-dichloro-10,18-dioxaoctacyclo[10.5.1.1(3,7).0(2,8).0(4,6).0(9,16).0(11,15).0(13,17)]nonadecane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18Cl2O2
InChI InChI=1S/C17H18Cl2O2/c18-17(19)11-3-1-4(12(11)17)8-7(3)15-9-5-2-6-10(9)16(8)21-14(6)13(5)20-15/h3-16H,1-2H2/t3?,4?,5-,6+,7?,8?,9-,10+,11?,12?,13+,14-,15+,16-
InChIKey SHOQVEDIXOGIJW-MJGXKUGSSA-N
Molecular Weight 325.235 g/mol
SMILES C1(C2C3C4[C@]5([C@@]6([C@@]7([C@](O5)([C@@]5(O[C@](C4C(C12)C3)([C@]6([C@@]5(C7)[H])[H])[H])[H])[H])[H])[H])[H])(Cl)Cl
SPLASH splash10-001i-0093000000-5913258bf16ae0ac46ae
Source of Spectrum QA-45-803-19
Wiley ID 862972