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4-Butyl-8-exo-valeryl-3,5,11-trioxatetracyclo[5.2.1.1(2,6).0(4,9)]undecane
SpectraBase Compound ID 4A3rdWFTG0r
InChI InChI=1S/C17H26O4/c1-3-5-7-12(18)13-10-9-11-14(13)17(8-6-4-2)20-15(10)19-16(11)21-17/h10-11,13-16H,3-9H2,1-2H3/t10-,11+,13?,14?,15+,16-,17?/m1/s1
InChIKey RNMYZSYUVABREB-HVQLNTCXSA-N
Mol Weight 294.39 g/mol
Molecular Formula C17H26O4
Exact Mass 294.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxcnBTwDcnT
Name 4-Butyl-8-exo-valeryl-3,5,11-trioxatetracyclo[5.2.1.1(2,6).0(4,9)]undecane
Alternate Name(s) 1-(1-butyl-8,10,11-trioxatetracyclo[5.3.1.0(2,6).0(4,9)]undec-3-yl)-1-pentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O4
InChI InChI=1S/C17H26O4/c1-3-5-7-12(18)13-10-9-11-14(13)17(8-6-4-2)20-15(10)19-16(11)21-17/h10-11,13-16H,3-9H2,1-2H3/t10-,11+,13?,14?,15+,16-,17?/m1/s1
InChIKey RNMYZSYUVABREB-HVQLNTCXSA-N
Molecular Weight 294.391 g/mol
SMILES C12(C3[C@@]4(C[C@@]([C@](O2)(O[C@@]4(O1)[H])[H])(C3C(=O)CCCC)[H])[H])CCCC
SPLASH splash10-0540-4980000000-9878ade7f55905d1bdd8
Source of Spectrum QA-43-192-11
Wiley ID 862201