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3-Benzazocine-3(2H)-carboxylic acid, 1,4,5,6-tetrahydro-8,9,10-trimethoxy-2-oxo-, phenylmethyl ester
SpectraBase Compound ID 8pZzr9UGbpw
InChI InChI=1S/C22H25NO6/c1-26-18-12-16-10-7-11-23(22(25)29-14-15-8-5-4-6-9-15)19(24)13-17(16)20(27-2)21(18)28-3/h4-6,8-9,12H,7,10-11,13-14H2,1-3H3
InChIKey TZRVNGBNYAMLNU-UHFFFAOYSA-N
Mol Weight 399.44 g/mol
Molecular Formula C22H25NO6
Exact Mass 399.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjiVyCWybwz
Name 3-Benzazocine-3(2H)-carboxylic acid, 1,4,5,6-tetrahydro-8,9,10-trimethoxy-2-oxo-, phenylmethyl ester
CAS Registry Number 126480-86-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO6
InChI InChI=1S/C22H25NO6/c1-26-18-12-16-10-7-11-23(22(25)29-14-15-8-5-4-6-9-15)19(24)13-17(16)20(27-2)21(18)28-3/h4-6,8-9,12H,7,10-11,13-14H2,1-3H3
InChIKey TZRVNGBNYAMLNU-UHFFFAOYSA-N
Molecular Weight 399.443 g/mol
SMILES C1(N(CCCc2cc(c(c(c2C1)OC)OC)OC)C(OCc1ccccc1)=O)=O
SPLASH splash10-03dl-6191000000-0b5ff8ed7b7bb0383cfe
Source of Spectrum KC-1989-1935-18
Synonyms benzyl 8,9,10-trimethoxy-2-oxo-1,4,5,6-tetrahydro-3-benzazocine-3(2H)-carboxylate Benzyl 8,9,10-trimethoxy-2-oxo-3,4,5,6-tetrahydro-3-benzazocine-3-carboxylate
Wiley ID 1368994