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(E)-Dimethyl [(1S,4S)-4-(benzylamino)cyclohept-2-en-1-yl]malonate

View entire compound with spectra: 1 MS (GC)

(E)-Dimethyl [(1S,4S)-4-(benzylamino)cyclohept-2-en-1-yl]malonate
SpectraBase Compound ID KsYKO3WONY1
InChI InChI=1S/C19H25NO4/c1-23-18(21)17(19(22)24-2)15-9-6-10-16(12-11-15)20-13-14-7-4-3-5-8-14/h3-5,7-8,11-12,15-17,20H,6,9-10,13H2,1-2H3/t15-,16-/m0/s1
InChIKey HBKUIZXDWMJOSE-HOTGVXAUSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6l0m5uCUTrx
Name (E)-Dimethyl [(1S,4S)-4-(benzylamino)cyclohept-2-en-1-yl]malonate
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Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-23-18(21)17(19(22)24-2)15-9-6-10-16(12-11-15)20-13-14-7-4-3-5-8-14/h3-5,7-8,11-12,15-17,20H,6,9-10,13H2,1-2H3/t15-,16-/m0/s1
InChIKey HBKUIZXDWMJOSE-HOTGVXAUSA-N
Molecular Weight 331.412 g/mol
SMILES N([C@@]1(C=C[C@@](C(C(=O)OC)C(=O)OC)(CCC1)[H])[H])Cc1ccccc1
SPLASH splash10-0006-9101000000-e6d1e69767161d8359cb
Source of Spectrum C-120-6669-25
Synonyms (E)-Dimethyl[4-(benzylamino)cyclohept-2-en-1-yl]malonate Dimethyl 2-[(1S,4S)-4-(benzylamino)-2-cyclohepten-1-yl]malonate
Wiley ID 761047