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1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-3-acetoxybutyl)-8-acetoxy-2,6-methano-3-benzazocine
SpectraBase Compound ID HzpaToL0UFL
InChI InChI=1S/C23H33NO4/c1-15-21-13-18-7-8-19(27-16(2)25)14-20(18)23(15,6)10-12-24(21)11-9-22(4,5)28-17(3)26/h7-8,14-15,21H,9-13H2,1-6H3/t15?,21-,23-/m1/s1
InChIKey XXPHVOZBDCWRFR-ISYIEVSPSA-N
Mol Weight 387.5 g/mol
Molecular Formula C23H33NO4
Exact Mass 387.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCOIAhJYre9
Name 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-3-acetoxybutyl)-8-acetoxy-2,6-methano-3-benzazocine
Alternate Name(s) 3-[4-(acetyloxy)-1,13-dimethyl-10-azatricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-10-yl]-1,1-dimethylpropyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33NO4
InChI InChI=1S/C23H33NO4/c1-15-21-13-18-7-8-19(27-16(2)25)14-20(18)23(15,6)10-12-24(21)11-9-22(4,5)28-17(3)26/h7-8,14-15,21H,9-13H2,1-6H3/t15?,21-,23-/m1/s1
InChIKey XXPHVOZBDCWRFR-ISYIEVSPSA-N
Molecular Weight 387.520 g/mol
SMILES [C@@]12(c3c(ccc(c3)OC(=O)C)C[C@](C1C)(N(CC2)CCC(OC(=O)C)(C)C)[H])C
SPLASH splash10-05ai-5489000000-c83d63643cac81f92811
Source of Spectrum CJ-1992-0-0
Wiley ID 1363442