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1-Benzoxepin-2,5-imine-4-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-, methyl ester
SpectraBase Compound ID AjT4rHolMf5
InChI InChI=1S/C13H15NO3/c1-13(12(15)16-2)7-10-14-11(13)8-5-3-4-6-9(8)17-10/h3-6,10-11,14H,7H2,1-2H3
InChIKey UTZQGKSKMVXRBZ-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVmktjr1ELm
Name 1-Benzoxepin-2,5-imine-4-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-, methyl ester
CAS Registry Number 122373-15-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-13(12(15)16-2)7-10-14-11(13)8-5-3-4-6-9(8)17-10/h3-6,10-11,14H,7H2,1-2H3
InChIKey UTZQGKSKMVXRBZ-UHFFFAOYSA-N
Molecular Weight 233.267 g/mol
SMILES N1C2CC(C1c1c(O2)cccc1)(C(=O)OC)C
SPLASH splash10-0089-3910000000-4d0331337d9ef8f7a6a1
Source of Spectrum AJ-62-813-17
Synonyms Methyl 11-methyl-8-oxa-12-azatricyclo[7.2.1.0(2,7)]dodeca-2,4,6-triene-11-carboxylate
Wiley ID 1234913