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2H-Naphth[1,2-c]azepine-2-acetic acid, 8-bromo-1,3,4,5-tetrahydro-9-methoxy-1-oxo-
SpectraBase Compound ID 82LdxQhsAE9
InChI InChI=1S/C17H16BrNO4/c1-23-13-7-6-11-12(16(13)18)5-4-10-3-2-8-19(9-14(20)21)17(22)15(10)11/h4-7H,2-3,8-9H2,1H3,(H,20,21)
InChIKey QGNNOJIIPBXURZ-UHFFFAOYSA-N
Mol Weight 378.22 g/mol
Molecular Formula C17H16BrNO4
Exact Mass 377.026271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37B8bNNwc9D
Name 2H-Naphth[1,2-c]azepine-2-acetic acid, 8-bromo-1,3,4,5-tetrahydro-9-methoxy-1-oxo-
CAS Registry Number 126157-35-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16BrNO4
InChI InChI=1S/C17H16BrNO4/c1-23-13-7-6-11-12(16(13)18)5-4-10-3-2-8-19(9-14(20)21)17(22)15(10)11/h4-7H,2-3,8-9H2,1H3,(H,20,21)
InChIKey QGNNOJIIPBXURZ-UHFFFAOYSA-N
Molecular Weight 378.222 g/mol
SMILES OC(CN1C(c2c3c(c(Br)c(cc3)OC)ccc2CCC1)=O)=O
SPLASH splash10-004l-0079000000-bbb83dae65bb8c3b1dc7
Source of Spectrum J-55-2701-4
Synonyms (8-bromo-9-methoxy-1-oxo-1,3,4,5-tetrahydro-2H-naphtho[1,2-c]azepin-2-yl)acetic acid 8-Bromo-2,3,4,5-tetrahydro-9-methoxy-1-oxo-1H-naphth[1,2-c]azepine-2-acetic acid
Wiley ID 1358192