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3-Benzazacyclododecine-5-carboxylic acid, 1,2,3,4,5,6,7,8,9,10-decahydro-12,13-dimethoxy-4,10-dioxo-
SpectraBase Compound ID 5oiQe3mvAPs
InChI InChI=1S/C18H23NO6/c1-24-15-9-11-7-8-19-17(21)12(18(22)23)5-3-4-6-14(20)13(11)10-16(15)25-2/h9-10,12H,3-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKey QBQGEWDASNZLIN-UHFFFAOYSA-N
Mol Weight 349.38 g/mol
Molecular Formula C18H23NO6
Exact Mass 349.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6Ffln15VCq
Name 3-Benzazacyclododecine-5-carboxylic acid, 1,2,3,4,5,6,7,8,9,10-decahydro-12,13-dimethoxy-4,10-dioxo-
CAS Registry Number 78631-92-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO6
InChI InChI=1S/C18H23NO6/c1-24-15-9-11-7-8-19-17(21)12(18(22)23)5-3-4-6-14(20)13(11)10-16(15)25-2/h9-10,12H,3-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKey QBQGEWDASNZLIN-UHFFFAOYSA-N
Molecular Weight 349.383 g/mol
SMILES N1CCc2cc(c(cc2C(CCCCC(C(=O)O)C1=O)=O)OC)OC
SPLASH splash10-0a4l-0964000000-14ecdc5cb3b52c95c5e0
Source of Spectrum K-114-2176-0
Synonyms 1,2,3,4,5,6,7,8,9,10-Decahydro-12,13-dimethoxy-4,10-dioxo-3-benzazacyclododecin-5-carboxylic acid 12,13-dimethoxy-4,10-dioxo-1,2,3,4,5,6,7,8,9,10-decahydro-3-benzazacyclododecine-5-carboxylic acid
Wiley ID 1341328