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7,8-Dimethoxy-1-((1S,2S)-2-phenylcyclopropyl)-3-methyl-1,3,4,5-tetrahydro-2,3-benzoxazepine
SpectraBase Compound ID 10xcXYY1Qsk
InChI InChI=1S/C21H25NO3/c1-22-10-9-15-11-19(23-2)20(24-3)13-17(15)21(25-22)18-12-16(18)14-7-5-4-6-8-14/h4-8,11,13,16,18,21H,9-10,12H2,1-3H3/t16-,18+,21?/m1/s1
InChIKey SHBQGDQPEIARBW-JUAJCIKASA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iROTfliS3M
Name 7,8-Dimethoxy-1-((1S,2S)-2-phenylcyclopropyl)-3-methyl-1,3,4,5-tetrahydro-2,3-benzoxazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-22-10-9-15-11-19(23-2)20(24-3)13-17(15)21(25-22)18-12-16(18)14-7-5-4-6-8-14/h4-8,11,13,16,18,21H,9-10,12H2,1-3H3/t16-,18+,21?/m1/s1
InChIKey SHBQGDQPEIARBW-JUAJCIKASA-N
Molecular Weight 339.435 g/mol
SMILES [C@]1(C2c3c(cc(c(c3)OC)OC)CCN(O2)C)([C@@](c2ccccc2)(C1)[H])[H]
SPLASH splash10-0019-0590000000-23d258d5404423ecfd1f
Source of Spectrum AT-35-2412-4
Synonyms 7,8-Dimethoxy-1-(2-phenylcyclopropyl)-3-methyl-2,3-benzoxazepine 7,8-Dimethoxy-3-methyl-1-[(1S,2S)-2-phenylcyclopropyl]-1,3,4,5-tetrahydro-2,3-benzoxazepine
Wiley ID 852664