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(Z)-3a,4,5,6-Tetrahydro-3a,6,6-trimethyl-3-(but-1'-en-3'-ynyl)-2-(t-butyl)pyrrolo[1,2-b]isoxazole

View entire compound with spectra: 1 MS (GC)

(Z)-3a,4,5,6-Tetrahydro-3a,6,6-trimethyl-3-(but-1'-en-3'-ynyl)-2-(t-butyl)pyrrolo[1,2-b]isoxazole
SpectraBase Compound ID 66uFMP7iw4m
InChI InChI=1S/C17H25NO/c1-8-9-10-13-14(15(2,3)4)19-18-16(5,6)11-12-17(13,18)7/h1,9-10H,11-12H2,2-7H3/b10-9-
InChIKey VPHHQIINUYCFJF-KTKRTIGZSA-N
Mol Weight 259.39 g/mol
Molecular Formula C17H25NO
Exact Mass 259.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1h691GFy5o
Name (Z)-3a,4,5,6-Tetrahydro-3a,6,6-trimethyl-3-(but-1'-en-3'-ynyl)-2-(t-butyl)pyrrolo[1,2-b]isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO
InChI InChI=1S/C17H25NO/c1-8-9-10-13-14(15(2,3)4)19-18-16(5,6)11-12-17(13,18)7/h1,9-10H,11-12H2,2-7H3/b10-9-
InChIKey VPHHQIINUYCFJF-KTKRTIGZSA-N
Molecular Weight 259.393 g/mol
SMILES C12(N(OC(=C2\C=C/C#C)C(C)(C)C)C(CC1)(C)C)C
SPLASH splash10-006w-0920000000-45c297262353352f2c25
Source of Spectrum H-84-3831-0
Synonyms 3-[(1Z)-1-buten-3-ynyl]-2-tert-butyl-3a,6,6-trimethyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]isoxazole
Wiley ID 847863