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(phenylmethyl) N-[(1S)-1-[(2S,3R)-2-methanoyl-4-oxidanylidene-1-(phenylmethyl)azetidin-3-yl]-2-methyl-propyl]carbamate
SpectraBase Compound ID 47pu9mLUWz2
InChI InChI=1S/C23H26N2O4/c1-16(2)21(24-23(28)29-15-18-11-7-4-8-12-18)20-19(14-26)25(22(20)27)13-17-9-5-3-6-10-17/h3-12,14,16,19-21H,13,15H2,1-2H3,(H,24,28)/t19-,20+,21+/m1/s1
InChIKey NLLIEXNZCBRBQM-HKBOAZHASA-N
Mol Weight 394.47 g/mol
Molecular Formula C23H26N2O4
Exact Mass 394.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IvrOtp7U8j
Name (phenylmethyl) N-[(1S)-1-[(2S,3R)-2-methanoyl-4-oxidanylidene-1-(phenylmethyl)azetidin-3-yl]-2-methyl-propyl]carbamate
Alternate Name(s) benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-formyl-4-oxo-azetidin-3-yl]-2-methyl-propyl]carbamate N-[(1S)-1-[(2S,3R)-1-benzyl-2-formyl-4-keto-azetidin-3-yl]-2-methyl-propyl]carbamic acid benzyl ester N-[(1S)-1-[(2S,3R)-2-formyl-4-oxo-1-(phenylmethyl)-3-azetidinyl]-2-methylpropyl]carbamic acid (phenylmethyl) ester
Comments Less than 3 mono-isotopic peaks
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Formula C23H26N2O4
InChI InChI=1S/C23H26N2O4/c1-16(2)21(24-23(28)29-15-18-11-7-4-8-12-18)20-19(14-26)25(22(20)27)13-17-9-5-3-6-10-17/h3-12,14,16,19-21H,13,15H2,1-2H3,(H,24,28)/t19-,20+,21+/m1/s1
InChIKey NLLIEXNZCBRBQM-HKBOAZHASA-N
Molecular Weight 394.471 g/mol
SMILES N([C@]([C@@]1([C@](N(C1=O)Cc1ccccc1)(C=O)[H])[H])(C(C)C)[H])C(=O)OCc1ccccc1
SPLASH splash10-0006-9000000000-4d92ec2ef3d9735b9373
Source of Spectrum K-2001-2576-38
Wiley ID 1579715