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3-[(1E)-buta-1,3-dienyl]-2-tert-butyl-3a,5,5-trimethyl-4,6-dihydropyrrolo[1,2-b]isoxazole
SpectraBase Compound ID H64XrkMtuFy
InChI InChI=1S/C17H27NO/c1-8-9-10-13-14(15(2,3)4)19-18-12-16(5,6)11-17(13,18)7/h8-10H,1,11-12H2,2-7H3/b10-9+
InChIKey ASTNYBATFBEGEW-MDZDMXLPSA-N
Mol Weight 261.41 g/mol
Molecular Formula C17H27NO
Exact Mass 261.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HaX3MYotDN
Name 3-[(1E)-buta-1,3-dienyl]-2-tert-butyl-3a,5,5-trimethyl-4,6-dihydropyrrolo[1,2-b]isoxazole
Alternate Name(s) 3-[(1E)-buta-1,3-dienyl]-2-tert-butyl-3a,5,5-trimethyl-4,6-dihydropyrrolo[1,2-b][1,2]oxazole 3-[(1E)-buta-1,3-dienyl]-2-tert-butyl-3a,5,5-trimethyl-4,6-dihydropyrrol[1,2-b]isoxazole
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Formula C17H27NO
InChI InChI=1S/C17H27NO/c1-8-9-10-13-14(15(2,3)4)19-18-12-16(5,6)11-17(13,18)7/h8-10H,1,11-12H2,2-7H3/b10-9+
InChIKey ASTNYBATFBEGEW-MDZDMXLPSA-N
Molecular Weight 261.409 g/mol
SMILES C12(N(OC(=C2\C=C\C=C)C(C)(C)C)CC(C1)(C)C)C
SPLASH splash10-06vr-0490000000-c65b49aeaf4e7eb49205
Source of Spectrum KC-57-4355-13
Wiley ID 1624129