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trans-1-cyclohexyl-2-phenyl-3-p-phenyl-benzoyl-3-deuterioazetidine
SpectraBase Compound ID yqhUs4UXHI
InChI InChI=1S/C28H29NO/c30-28(24-18-16-22(17-19-24)21-10-4-1-5-11-21)26-20-29(25-14-8-3-9-15-25)27(26)23-12-6-2-7-13-23/h1-2,4-7,10-13,16-19,25-27H,3,8-9,14-15,20H2/t26-,27-/m1/s1/i26D
InChIKey NSKDSYHZYOCJAY-BVOIKEIYSA-N
Mol Weight 396.55 g/mol
Molecular Formula C28H282DNO
Exact Mass 396.231191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kPDoBPb0a
Name trans-1-cyclohexyl-2-phenyl-3-p-phenyl-benzoyl-3-deuterioazetidine
CAS Registry Number 13871-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28DNO
InChI InChI=1S/C28H29NO/c30-28(24-18-16-22(17-19-24)21-10-4-1-5-11-21)26-20-29(25-14-8-3-9-15-25)27(26)23-12-6-2-7-13-23/h1-2,4-7,10-13,16-19,25-27H,3,8-9,14-15,20H2/t26-,27-/m1/s1/i26D
InChIKey NSKDSYHZYOCJAY-BVOIKEIYSA-N
Molecular Weight 396.552 g/mol
SMILES [C@]1(N(C[C@]1(C(c1ccc(cc1)-c1ccccc1)=O)[2D])C1CCCCC1)(c1ccccc1)[H]
SPLASH splash10-0fsi-1922000000-00f40419cf4152eaf642
Source of Spectrum T-67-4764-0
Wiley ID 56693