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4-Isobenzofurancarboxamide, octahydro-1,5-dimethyl-3-oxo-N-phenyl-, (1.alpha.,3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

4-Isobenzofurancarboxamide, octahydro-1,5-dimethyl-3-oxo-N-phenyl-, (1.alpha.,3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID JqmJevzxwLu
InChI InChI=1S/C17H21NO3/c1-10-8-9-13-11(2)21-17(20)15(13)14(10)16(19)18-12-6-4-3-5-7-12/h3-7,10-11,13-15H,8-9H2,1-2H3,(H,18,19)/t10-,11-,13-,14-,15+/m0/s1
InChIKey YTHSPKLRHLOQRS-IXDBCEGASA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QBO4UhcljA
Name 4-Isobenzofurancarboxamide, octahydro-1,5-dimethyl-3-oxo-N-phenyl-, (1.alpha.,3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)-
CAS Registry Number 128596-08-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-10-8-9-13-11(2)21-17(20)15(13)14(10)16(19)18-12-6-4-3-5-7-12/h3-7,10-11,13-15H,8-9H2,1-2H3,(H,18,19)/t10-,11-,13-,14-,15+/m0/s1
InChIKey YTHSPKLRHLOQRS-IXDBCEGASA-N
Molecular Weight 287.359 g/mol
SMILES N(C([C@@]1([C@@]2(C(O[C@@](C)([C@@]2(CC[C@@]1(C)[H])[H])[H])=O)[H])[H])=O)c1ccccc1
SPLASH splash10-0006-9020000000-d6eb6c1a0940e4800e8e
Source of Spectrum KC-1989-2028-17
Synonyms (1S,3aR,4S,5S,7aR)-1,5-dimethyl-3-oxo-N-phenyloctahydro-2-benzofuran-4-carboxamide (2RS,6RS,7SR,8SR,9SR)-3,6-dimethyl-7-(n-phenylamido)hexahydrophthalide
Wiley ID 1290922