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1-{2-[(2,2,4-Trimethyl-5-phenyl-[1,3]oxazolidine-3-yl)carbonyl]benzyl}-5,6-dihydro-5,6-methylenedioxy-8H-isoquinoline
SpectraBase Compound ID GnGkWtCwc8m
InChI InChI=1S/C30H32N2O4/c1-19-28(20-9-5-4-6-10-20)36-30(2,3)32(19)29(33)23-12-8-7-11-21(23)15-25-24-17-27-26(34-18-35-27)16-22(24)13-14-31-25/h4-12,16-17,19,25,28,31H,13-15,18H2,1-3H3/t19-,25?,28-/m0/s1
InChIKey AYRCLIWWTXQGKV-DPGIUBORSA-N
Mol Weight 484.6 g/mol
Molecular Formula C30H32N2O4
Exact Mass 484.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlJvpwhXfMv
Name 1-{2-[(2,2,4-Trimethyl-5-phenyl-[1,3]oxazolidine-3-yl)carbonyl]benzyl}-5,6-dihydro-5,6-methylenedioxy-8H-isoquinoline
Alternate Name(s) 1-{2-[(2,2,4-Trimethyl-5-phenyl-[1,3]oxazolidine-3-yl)carbonyl]benzyl}-5,6-dihydro-2,3-methylenedioxy-8H-isoquinoline 5-(2-{[(4S,5R)-2,2,4-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]carbonyl}benzyl)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
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Formula C30H32N2O4
InChI InChI=1S/C30H32N2O4/c1-19-28(20-9-5-4-6-10-20)36-30(2,3)32(19)29(33)23-12-8-7-11-21(23)15-25-24-17-27-26(34-18-35-27)16-22(24)13-14-31-25/h4-12,16-17,19,25,28,31H,13-15,18H2,1-3H3/t19-,25?,28-/m0/s1
InChIKey AYRCLIWWTXQGKV-DPGIUBORSA-N
Molecular Weight 484.596 g/mol
SMILES N1CCc2cc3OCOc3cc2C1Cc1c(C(N2C(O[C@@]([C@@]2(C)[H])(c2ccccc2)[H])(C)C)=O)cccc1
SPLASH splash10-004i-0910000000-e1d2b0496eaadf2c6dbc
Source of Spectrum KD-16-1119-12
Wiley ID 1636892