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trans-3-Acetoxy-1-benzyl-2-(4-chlorophenyl)azetidine
SpectraBase Compound ID 8Y4fdprpP8D
InChI InChI=1S/C18H18ClNO2/c1-13(21)22-17-12-20(11-14-5-3-2-4-6-14)18(17)15-7-9-16(19)10-8-15/h2-10,17-18H,11-12H2,1H3/t17-,18+/m0/s1
InChIKey LTDRKXYRLCXWDU-ZWKOTPCHSA-N
Mol Weight 315.8 g/mol
Molecular Formula C18H18ClNO2
Exact Mass 315.102607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sZjWJCcAXs
Name trans-3-Acetoxy-1-benzyl-2-(4-chlorophenyl)azetidine
Alternate Name(s) (2R,3S)-1-benzyl-2-(4-chlorophenyl)azetidinyl acetate
Comments Less than 3 mono-isotopic peaks
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Formula C18H18ClNO2
InChI InChI=1S/C18H18ClNO2/c1-13(21)22-17-12-20(11-14-5-3-2-4-6-14)18(17)15-7-9-16(19)10-8-15/h2-10,17-18H,11-12H2,1H3/t17-,18+/m0/s1
InChIKey LTDRKXYRLCXWDU-ZWKOTPCHSA-N
Molecular Weight 315.800 g/mol
SMILES [C@]1(N(C[C@@]1(OC(=O)C)[H])Cc1ccccc1)(c1ccc(cc1)Cl)[H]
SPLASH splash10-00di-0901000000-fd9ce22c4e1a03dc353c
Source of Spectrum F-62-6890-9
Wiley ID 1639764