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Pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosane-1-carbonyl chloride
SpectraBase Compound ID 2Deb9GgSY0J
InChI InChI=1S/C21H31ClO/c22-20(23)21-16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)21)15-9-3-6-12-18(15)21/h13-19H,1-12H2/t13-,14-,15+,16+,17+,18-,19-,21-/m0/s1
InChIKey AFNLWNIGFUOCTG-QHMOWBATSA-N
Mol Weight 334.93 g/mol
Molecular Formula C21H31ClO
Exact Mass 334.206343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DH8GS5Xi3cu
Name Pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosane-1-carbonyl chloride
Alternate Name(s) (4aR,8aS,9aR,10R,10aS)-icosahydro-9,10-[1,2]benzenoanthracene-9-carbonyl chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31ClO
InChI InChI=1S/C21H31ClO/c22-20(23)21-16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)21)15-9-3-6-12-18(15)21/h13-19H,1-12H2/t13-,14-,15+,16+,17+,18-,19-,21-/m0/s1
InChIKey AFNLWNIGFUOCTG-QHMOWBATSA-N
Molecular Weight 334.931 g/mol
SMILES [C@]12([C@@]3([C@]([C@@]([C@@]4(CCCC[C@]24[H])[H])(C(=O)Cl)[C@@]2([C@]1(CCCC2)[H])[H])(CCCC3)[H])[H])[H]
SPLASH splash10-00rm-6970000000-f331366df830d763d7aa
Source of Spectrum JX-2015-3-667
Wiley ID 1724213