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Methyl N-Benzoyl-2-[2'-(phenylseleno)ethyl]valinate
SpectraBase Compound ID IpVKOPpd769
InChI InChI=1S/C21H25NO3Se/c1-16(2)21(20(24)25-3,14-15-26-18-12-8-5-9-13-18)22-19(23)17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3,(H,22,23)/t21-/m0/s1
InChIKey MMHLYBHIDXWNAE-NRFANRHFSA-N
Mol Weight 418.41 g/mol
Molecular Formula C21H25NO3Se
Exact Mass 419.099966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9i6L21bFbpe
Name Methyl N-Benzoyl-2-[2'-(phenylseleno)ethyl]valinate
Alternate Name(s) methyl (2S)-2-(benzoylamino)-3-methyl-2-[2-(phenylselanyl)ethyl]butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C21H25NO3Se
InChI InChI=1S/C21H25NO3Se/c1-16(2)21(20(24)25-3,14-15-26-18-12-8-5-9-13-18)22-19(23)17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3,(H,22,23)/t21-/m0/s1
InChIKey MMHLYBHIDXWNAE-NRFANRHFSA-N
Molecular Weight 418.407 g/mol
SMILES N([C@@](C(=O)OC)(CC[Se]c1ccccc1)C(C)C)C(=O)c1ccccc1
SPLASH splash10-03di-0090000000-5485d8b801ffe2a134ed
Source of Spectrum J-58-6972-3
Wiley ID 1377573