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5-((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-4-yl)pentanal
SpectraBase Compound ID GE4RKijZcej
InChI InChI=1S/C14H20O3/c1-14(2)16-12-9-6-8-11(13(12)17-14)7-4-3-5-10-15/h6,8-10,12-13H,3-5,7H2,1-2H3/t12-,13+/m0/s1
InChIKey GTANQJQLPARQBL-QWHCGFSZSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2ZBPJMunhv
Name 5-((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-4-yl)pentanal
Alternate Name(s) 5-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pentanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-14(2)16-12-9-6-8-11(13(12)17-14)7-4-3-5-10-15/h6,8-10,12-13H,3-5,7H2,1-2H3/t12-,13+/m0/s1
InChIKey GTANQJQLPARQBL-QWHCGFSZSA-N
Literature Reference DOI 10.1021/jo400952u
Molecular Weight 236.311 g/mol
SMILES C1(O[C@]2([C@@](O1)(C=CC=C2CCCCC=O)[H])[H])(C)C
SPLASH splash10-08i3-6900000000-02112c302bf8cfb82c80
Source of Spectrum J-78-7108-32
Wiley ID 1745616