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(3aR,4S,6aR)-4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione
SpectraBase Compound ID D9dWYVoQaCu
InChI InChI=1S/C14H22O4/c1-2-3-4-5-6-7-8-11-10-9-12(15)18-13(10)14(16)17-11/h10-11,13H,2-9H2,1H3/t10-,11+,13-/m1/s1
InChIKey WRJLHIKDTDUDIM-NTZNESFSSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID m1wtAqlQSS
Name (3aR,4S,6aR)-4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione
Alternate Name(s) (3aR,4S,6aR)-4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-quinone
CAS Registry Number 65451-99-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-2-3-4-5-6-7-8-11-10-9-12(15)18-13(10)14(16)17-11/h10-11,13H,2-9H2,1H3/t10-,11+,13-/m1/s1
InChIKey WRJLHIKDTDUDIM-NTZNESFSSA-N
Molecular Weight 254.326 g/mol
SMILES C1([C@]2([C@@](CC(O2)=O)([H])[C@@](O1)(CCCCCCCC)[H])[H])=O
SPLASH splash10-0002-9000000000-b50c5b50c527a232e3be
Source of Spectrum F-46-5074-13
Wiley ID 1257693