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(E)-5-((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-4-yl)pentanal oxime

View entire compound with spectra: 1 MS (GC)

(E)-5-((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-4-yl)pentanal oxime
SpectraBase Compound ID 9NBr652irfS
InChI InChI=1S/C14H21NO3/c1-14(2)17-12-9-6-8-11(13(12)18-14)7-4-3-5-10-15-16/h6,8-10,12-13,16H,3-5,7H2,1-2H3/b15-10+/t12-,13+/m0/s1
InChIKey KABUCRNFRWKOBN-KWXXWNBCSA-N
Mol Weight 251.33 g/mol
Molecular Formula C14H21NO3
Exact Mass 251.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sAh08SqwNv
Name (E)-5-((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-4-yl)pentanal oxime
Alternate Name(s) (1E)-5-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pentanal oxime (NE)-N-[5-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pentylidene]hydroxylamine
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Formula C14H21NO3
InChI InChI=1S/C14H21NO3/c1-14(2)17-12-9-6-8-11(13(12)18-14)7-4-3-5-10-15-16/h6,8-10,12-13,16H,3-5,7H2,1-2H3/b15-10+/t12-,13+/m0/s1
InChIKey KABUCRNFRWKOBN-KWXXWNBCSA-N
Literature Reference DOI 10.1021/jo400952u
Molecular Weight 251.326 g/mol
SMILES O\N=C\CCCCC1=CC=C[C@@]2(OC(O[C@]12[H])(C)C)[H]
SPLASH splash10-055f-6900000000-11226925e3a8f55fd628
Source of Spectrum J-78-7108-33
Wiley ID 1745617