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(phenylmethyl) N-[(1S)-2-methyl-1-[(3R,4S)-2-oxidanylidene-1-(phenylmethyl)-4-thiophen-2-yl-azetidin-3-yl]propyl]carbamate
SpectraBase Compound ID Do0qRpEZPKG
InChI InChI=1S/C26H28N2O3S/c1-18(2)23(27-26(30)31-17-20-12-7-4-8-13-20)22-24(21-14-9-15-32-21)28(25(22)29)16-19-10-5-3-6-11-19/h3-15,18,22-24H,16-17H2,1-2H3,(H,27,30)/t22-,23+,24-/m1/s1
InChIKey QQJREURJONEBFH-TZRRMPRUSA-N
Mol Weight 448.58 g/mol
Molecular Formula C26H28N2O3S
Exact Mass 448.182064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BDZAQCGGbK
Name (phenylmethyl) N-[(1S)-2-methyl-1-[(3R,4S)-2-oxidanylidene-1-(phenylmethyl)-4-thiophen-2-yl-azetidin-3-yl]propyl]carbamate
Alternate Name(s) benzyl N-[(1S)-1-[(3R,4S)-1-benzyl-2-oxo-4-(2-thienyl)azetidin-3-yl]-2-methyl-propyl]carbamate benzyl N-[(1S)-1-[(3R,4S)-1-benzyl-2-oxo-4-thiophen-2-ylazetidin-3-yl]-2-methylpropyl]carbamate N-[(1S)-1-[(3R,4S)-1-benzyl-2-keto-4-(2-thienyl)azetidin-3-yl]-2-methyl-propyl]carbamic acid benzyl ester N-[(1S)-2-methyl-1-[(3R,4S)-2-oxo-1-(phenylmethyl)-4-thiophen-2-yl-3-azetidinyl]propyl]carbamic acid (phenylmethyl) ester
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Formula C26H28N2O3S
InChI InChI=1S/C26H28N2O3S/c1-18(2)23(27-26(30)31-17-20-12-7-4-8-13-20)22-24(21-14-9-15-32-21)28(25(22)29)16-19-10-5-3-6-11-19/h3-15,18,22-24H,16-17H2,1-2H3,(H,27,30)/t22-,23+,24-/m1/s1
InChIKey QQJREURJONEBFH-TZRRMPRUSA-N
Molecular Weight 448.581 g/mol
SMILES N([C@]([C@@]1([C@](N(C1=O)Cc1ccccc1)(c1sccc1)[H])[H])(C(C)C)[H])C(=O)OCc1ccccc1
SPLASH splash10-002f-9008000000-96b5ffe73aa64f00a752
Source of Spectrum K-2001-2573-28
Wiley ID 1579719