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trans-1-t-butyl-2-phenyl-3-p-phenylbenzoyl-3-deuterioazetidine
SpectraBase Compound ID 2swC1Tv9mOB
InChI InChI=1S/C26H27NO/c1-26(2,3)27-18-23(24(27)21-12-8-5-9-13-21)25(28)22-16-14-20(15-17-22)19-10-6-4-7-11-19/h4-17,23-24H,18H2,1-3H3/t23-,24-/m1/s1/i23D
InChIKey XMFSKUXGHWGRAM-HNVOSGAESA-N
Mol Weight 370.51 g/mol
Molecular Formula C26H262DNO
Exact Mass 370.215541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CI85ZA4YbJF
Name trans-1-t-butyl-2-phenyl-3-p-phenylbenzoyl-3-deuterioazetidine
CAS Registry Number 13871-54-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26DNO
InChI InChI=1S/C26H27NO/c1-26(2,3)27-18-23(24(27)21-12-8-5-9-13-21)25(28)22-16-14-20(15-17-22)19-10-6-4-7-11-19/h4-17,23-24H,18H2,1-3H3/t23-,24-/m1/s1/i23D
InChIKey XMFSKUXGHWGRAM-HNVOSGAESA-N
Molecular Weight 370.514 g/mol
SMILES [C@]1(N(C[C@]1(C(c1ccc(cc1)-c1ccccc1)=O)[2D])C(C)(C)C)(c1ccccc1)[H]
SPLASH splash10-0wn9-2902000000-af12b146c49f1c392de4
Source of Spectrum T-67-4657-0
Wiley ID 54223