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1,2,3,4,5,6-Hexahydro-1,5-imino-9-methoxy-3,8,11-trimethyl-4-oxo-3-benzazocin-10-carboxylic acid methyl ester
SpectraBase Compound ID IT6jufq6KlY
InChI InChI=1S/C17H22N2O4/c1-9-6-10-7-11-16(20)18(2)8-12(19(11)3)13(10)14(15(9)22-4)17(21)23-5/h6,11-12H,7-8H2,1-5H3/t11-,12-/m0/s1
InChIKey OXQRUWGCIZIVDZ-RYUDHWBXSA-N
Mol Weight 318.37 g/mol
Molecular Formula C17H22N2O4
Exact Mass 318.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6kWn3ev1UI
Name 1,2,3,4,5,6-Hexahydro-1,5-imino-9-methoxy-3,8,11-trimethyl-4-oxo-3-benzazocin-10-carboxylic acid methyl ester
Alternate Name(s) methyl 4-methoxy-5,11,13-trimethyl-10-oxo-11,13-diazatricyclo[7.3.1.0(2,7)]trideca-2,4,6-triene-3-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O4
InChI InChI=1S/C17H22N2O4/c1-9-6-10-7-11-16(20)18(2)8-12(19(11)3)13(10)14(15(9)22-4)17(21)23-5/h6,11-12H,7-8H2,1-5H3/t11-,12-/m0/s1
InChIKey OXQRUWGCIZIVDZ-RYUDHWBXSA-N
Molecular Weight 318.373 g/mol
SMILES c1(c2[C@]3(N(C)[C@@](Cc2cc(c1OC)C)(C(=O)N(C3)C)[H])[H])C(=O)OC
SPLASH splash10-0002-0091000000-00a7a287b97eb5650f89
Source of Spectrum F-50-3920-9
Wiley ID 1318440