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3-[[(1R,4S)-4-acetoxycyclohex-2-en-1-yl]-benzyl-amino]-3-keto-propionic acid methyl ester
SpectraBase Compound ID EPteXwDvMCa
InChI InChI=1S/C19H23NO5/c1-14(21)25-17-10-8-16(9-11-17)20(18(22)12-19(23)24-2)13-15-6-4-3-5-7-15/h3-8,10,16-17H,9,11-13H2,1-2H3/t16-,17+/m0/s1
InChIKey MXCFWPHZJHECJH-DLBZAZTESA-N
Mol Weight 345.4 g/mol
Molecular Formula C19H23NO5
Exact Mass 345.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LULjumxwoCI
Name 3-[[(1R,4S)-4-acetoxycyclohex-2-en-1-yl]-benzyl-amino]-3-keto-propionic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO5
InChI InChI=1S/C19H23NO5/c1-14(21)25-17-10-8-16(9-11-17)20(18(22)12-19(23)24-2)13-15-6-4-3-5-7-15/h3-8,10,16-17H,9,11-13H2,1-2H3/t16-,17+/m0/s1
InChIKey MXCFWPHZJHECJH-DLBZAZTESA-N
Molecular Weight 345.395 g/mol
SMILES C(N([C@]1(C=C[C@@](OC(=O)C)(CC1)[H])[H])Cc1ccccc1)(CC(=O)OC)=O
SPLASH splash10-0006-9020000000-aa3eac1be97f3016b655
Source of Spectrum K1-2004-2844-6
Synonyms 3-[[(1R,4S)-4-acetyloxy-1-cyclohex-2-enyl]-(phenylmethyl)amino]-3-oxopropanoic acid methyl ester Methyl 3-[[(1R,4S)-4-acetoxycyclohex-2-en-1-yl]-benzyl-amino]-3-oxo-propanoate Methyl 3-[[(1R,4S)-4-acetyloxycyclohex-2-en-1-yl]-(phenylmethyl)amino]-3-oxidanylidene-propanoate Methyl 3-[[(1R,4S)-4-acetyloxycyclohex-2-en-1-yl]-benzylamino]-3-oxopropanoate
Wiley ID 1561100