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anti-2,12-Dioxanonacyclo[13.5.1.1(3,9).0(4,8).0(7,11).0(11,13).0(13,17).0(16,20)]docosane
SpectraBase Compound ID 6QA9lhHyqux
InChI InChI=1S/C20H24O2/c1-2-12-15-9-5-17(11(1)15)19(21-17)7-10-8-20(18(12,6-9)22-20)14-4-3-13(19)16(10)14/h9-16H,1-8H2/t9?,10?,11?,12?,13?,14?,15?,16?,17-,18+,19-,20+
InChIKey TWFQLDYORZRRKD-XWRNBJSBSA-N
Mol Weight 296.41 g/mol
Molecular Formula C20H24O2
Exact Mass 296.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MnvWiRveXo
Name anti-2,12-Dioxanonacyclo[13.5.1.1(3,9).0(4,8).0(7,11).0(11,13).0(13,17).0(16,20)]docosane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O2
InChI InChI=1S/C20H24O2/c1-2-12-15-9-5-17(11(1)15)19(21-17)7-10-8-20(18(12,6-9)22-20)14-4-3-13(19)16(10)14/h9-16H,1-8H2/t9?,10?,11?,12?,13?,14?,15?,16?,17-,18+,19-,20+
InChIKey TWFQLDYORZRRKD-XWRNBJSBSA-N
Molecular Weight 296.410 g/mol
SMILES [C@]123[C@@]4(C5C6C(CC5)[C@]5([C@@]7(CC(C1)C1C7CCC21)O5)CC6C4)O3
SPLASH splash10-00or-9830000000-24dcffb14229bf51618b
Source of Spectrum F-54-4691-23
Synonyms 2,12-dioxanonacyclo[13.5.1.1(3,9).0(1,3).0(4,8).0(7,11).0(11,13).0(13,17).0(16,20)]docosane
Wiley ID 806731