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(1R,4R)-(E)-Dimethyl [4-(benzylamino)cyclohex-2-en-1-yl]malonate

View entire compound with spectra: 1 MS (GC)

(1R,4R)-(E)-Dimethyl [4-(benzylamino)cyclohex-2-en-1-yl]malonate
SpectraBase Compound ID D112BVkuObg
InChI InChI=1S/C18H23NO4/c1-22-17(20)16(18(21)23-2)14-8-10-15(11-9-14)19-12-13-6-4-3-5-7-13/h3-8,10,14-16,19H,9,11-12H2,1-2H3/t14-,15-/m0/s1
InChIKey AQSRUYGNRCVXMY-GJZGRUSLSA-N
Mol Weight 317.38 g/mol
Molecular Formula C18H23NO4
Exact Mass 317.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYB9Xu8a3MP
Name (1R,4R)-(E)-Dimethyl [4-(benzylamino)cyclohex-2-en-1-yl]malonate
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Formula C18H23NO4
InChI InChI=1S/C18H23NO4/c1-22-17(20)16(18(21)23-2)14-8-10-15(11-9-14)19-12-13-6-4-3-5-7-13/h3-8,10,14-16,19H,9,11-12H2,1-2H3/t14-,15-/m0/s1
InChIKey AQSRUYGNRCVXMY-GJZGRUSLSA-N
Molecular Weight 317.385 g/mol
SMILES N([C@@]1(CC[C@](C=C1)(C(C(=O)OC)C(=O)OC)[H])[H])Cc1ccccc1
SPLASH splash10-052f-9811000000-b68ffab14225b2827db4
Source of Spectrum C-120-6669-25
Synonyms (E)-Dimethyl[4-(benzylamino)cyclohex-2-en-1-yl]malonate Dimethyl 2-[(1R,4R)-4-(benzylamino)-2-cyclohexen-1-yl]malonate
Wiley ID 761048