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(2R,3S)-2-hexyl-3-phenyl-1-azetidinecarboxylic acid tert-butyl ester
SpectraBase Compound ID HUhIkKfrQmH
InChI InChI=1S/C20H31NO2/c1-5-6-7-11-14-18-17(16-12-9-8-10-13-16)15-21(18)19(22)23-20(2,3)4/h8-10,12-13,17-18H,5-7,11,14-15H2,1-4H3/t17-,18-/m1/s1
InChIKey QMRWVXOGFQHERI-QZTJIDSGSA-N
Mol Weight 317.47 g/mol
Molecular Formula C20H31NO2
Exact Mass 317.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSZ3WiLBMGR
Name (2R,3S)-2-hexyl-3-phenyl-1-azetidinecarboxylic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO2
InChI InChI=1S/C20H31NO2/c1-5-6-7-11-14-18-17(16-12-9-8-10-13-16)15-21(18)19(22)23-20(2,3)4/h8-10,12-13,17-18H,5-7,11,14-15H2,1-4H3/t17-,18-/m1/s1
InChIKey QMRWVXOGFQHERI-QZTJIDSGSA-N
Molecular Weight 317.473 g/mol
SMILES C(N1[C@](CCCCCC)([C@](C1)(c1ccccc1)[H])[H])(OC(C)(C)C)=O
SPLASH splash10-0udi-3910000000-9c4455df3b3e248256c4
Source of Spectrum K1-2004-4481-7
Synonyms (2R,3S)-2-hexyl-3-phenyl-azetidine-1-carboxylic acid tert-butyl ester tert-Butyl (2R,3S)-2-hexyl-3-phenylazetidine-1-carboxylate
Wiley ID 1561834