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1(3H)-Isobenzofuranone, hexahydro-3-methyl-, oxime, (1Z,3.alpha.,3a.alpha.,7a.beta.)-
SpectraBase Compound ID Gwh2LoaHET2
InChI InChI=1S/C9H15NO2/c1-6-7-4-2-3-5-8(7)9(10-11)12-6/h6-8,11H,2-5H2,1H3/b10-9-/t6-,7-,8+/m1/s1
InChIKey BCOHDXAFCVXQNI-NHUCDYBFSA-N
Mol Weight 169.22 g/mol
Molecular Formula C9H15NO2
Exact Mass 169.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHPnzRPsbGj
Name 1(3H)-Isobenzofuranone, hexahydro-3-methyl-, oxime, (1Z,3.alpha.,3a.alpha.,7a.beta.)-
CAS Registry Number 133521-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15NO2
InChI InChI=1S/C9H15NO2/c1-6-7-4-2-3-5-8(7)9(10-11)12-6/h6-8,11H,2-5H2,1H3/b10-9-/t6-,7-,8+/m1/s1
InChIKey BCOHDXAFCVXQNI-NHUCDYBFSA-N
Molecular Weight 169.224 g/mol
SMILES O\N=C\1O[C@](C)([C@@]2([C@@]1(CCCC2)[H])[H])[H]
SPLASH splash10-05o3-9200000000-c4efe6826258104aab11
Source of Spectrum F-46-7383-3
Synonyms rel-(3R,3aS,7aR)-3-methylhexahydrophthalhydroximinolide (1Z,3R,3aS,7aS)-3-methylhexahydro-2-benzofuran-1(3H)-one oxime 3-Methylhexahydrophthalhydroximinolide
Wiley ID 1165788