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11,11-DICHLOROUNDECACYCLO-[13.10.0(1,21).0(2,6).0(4,12).0(5,9).0(7,21).0(10,12).0(10,18).0(13,17).0(16,20)]-PENTACOSANE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

11,11-DICHLOROUNDECACYCLO-[13.10.0(1,21).0(2,6).0(4,12).0(5,9).0(7,21).0(10,12).0(10,18).0(13,17).0(16,20)]-PENTACOSANE
SpectraBase Compound ID CpBTZusqkAE
InChI InChI=1S/C25H28Cl2/c26-25(27)23-13-5-9-17-11-7-15(19(13)17)24(23,25)16-8-12-18-10(6-14(23)20(16)18)21(9)3-1-2-4-22(11,12)21/h9-20H,1-8H2
InChIKey WHQKLIMKSGTXGL-UHFFFAOYSA-N
Mol Weight 399.41 g/mol
Molecular Formula C25H28Cl2
Exact Mass 398.156806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcswUMxvVCe
Name 11,11-Dichloroundecacyclo-pentacosane
CAS Registry Number 140901-54-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28Cl2
InChI InChI=1S/C25H28Cl2/c26-25(27)23-13-5-9-17-11-7-15(19(13)17)24(23,25)16-8-12-18-10(6-14(23)20(16)18)21(9)3-1-2-4-22(11,12)21/h9-20H,1-8H2
InChIKey WHQKLIMKSGTXGL-UHFFFAOYSA-N
Molecular Weight 399.405 g/mol
SMILES C123C4(C5CC6C7C5C1CC7C15C6(CCCC1)C1C6C(C3CC56)C4C1)C2(Cl)Cl
SPLASH splash10-0bt9-0009000000-a50b742d6b2eec882346
Source of Spectrum K-125-1737-81
Synonyms 11,11-dichloroundecacyclo[13.10.0.0(1,21).0(2,6).0(4,12).0(5,9).0(7,21).0(10,12).0(10,18).0(13,17).0(16,20)]pentacosane
Wiley ID 1368587