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(E)-3a,4,5,6-Tetrahydro-3a,6,6-trimethyl-3-(but-1'-en-3'-ynyl)-2-phenylpyrrolo[1,2-b]isoxazole
SpectraBase Compound ID A9qc1dWKyS5
InChI InChI=1S/C19H21NO/c1-5-6-12-16-17(15-10-8-7-9-11-15)21-20-18(2,3)13-14-19(16,20)4/h1,6-12H,13-14H2,2-4H3/b12-6+
InChIKey XHOYUAQIHDHIIM-WUXMJOGZSA-N
Mol Weight 279.38 g/mol
Molecular Formula C19H21NO
Exact Mass 279.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0mHFe00G9G
Name (E)-3a,4,5,6-Tetrahydro-3a,6,6-trimethyl-3-(but-1'-en-3'-ynyl)-2-phenylpyrrolo[1,2-b]isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO
InChI InChI=1S/C19H21NO/c1-5-6-12-16-17(15-10-8-7-9-11-15)21-20-18(2,3)13-14-19(16,20)4/h1,6-12H,13-14H2,2-4H3/b12-6+
InChIKey XHOYUAQIHDHIIM-WUXMJOGZSA-N
Molecular Weight 279.383 g/mol
SMILES C12(N(OC(=C2\C=C\C#C)c2ccccc2)C(CC1)(C)C)C
SPLASH splash10-0a4i-3950000000-95d2496a9ab09495c0d8
Source of Spectrum H-84-3831-0
Synonyms 3-[(1E)-1-buten-3-ynyl]-3a,6,6-trimethyl-2-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]isoxazole
Wiley ID 847864