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3a,6-Epoxy-3aH-isoindol-1(4H)-one, hexahydro-2-(2-hydroxy-1-phenylethyl)-7,7-dimethyl-, [3aR-[2(R*),3a.alpha.,6.alpha.,7a.beta.]]-
SpectraBase Compound ID 3Zfj5JVk6gZ
InChI InChI=1S/C18H23NO3/c1-17(2)14-8-9-18(22-14)11-19(16(21)15(17)18)13(10-20)12-6-4-3-5-7-12/h3-7,13-15,20H,8-11H2,1-2H3/t13-,14-,15-,18-/m0/s1
InChIKey NNJQFYMIOVLYNF-XSWJXKHESA-N
Mol Weight 301.39 g/mol
Molecular Formula C18H23NO3
Exact Mass 301.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LColYatzzmU
Name 3a,6-Epoxy-3aH-isoindol-1(4H)-one, hexahydro-2-(2-hydroxy-1-phenylethyl)-7,7-dimethyl-, [3aR-[2(R*),3a.alpha.,6.alpha.,7a.beta.]]-
CAS Registry Number 77704-41-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO3
InChI InChI=1S/C18H23NO3/c1-17(2)14-8-9-18(22-14)11-19(16(21)15(17)18)13(10-20)12-6-4-3-5-7-12/h3-7,13-15,20H,8-11H2,1-2H3/t13-,14-,15-,18-/m0/s1
InChIKey NNJQFYMIOVLYNF-XSWJXKHESA-N
Molecular Weight 301.386 g/mol
SMILES OC[C@](N1C([C@]2(C(C)(C)[C@]3(O[C@]2(C1)CC3)[H])[H])=O)(c1ccccc1)[H]
SPLASH splash10-00di-3490000000-411195d2bac88ebbdefb
Source of Spectrum H-73-2195-20
Synonyms (-)-(3aR,6S,7aS,1'R)-3a,6-Epoxyperhydro-2-(2'-hydroxy-1'-phenylethyl)-7,7-dimethyl-1H-isoindol-1-one (1R,5S,7R)-3-[(1R)-2-hydroxy-1-phenylethyl]-6,6-dimethyl-10-oxa-3-azatricyclo[5.2.1.0(1,5)]decan-4-one
Wiley ID 1303956