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cis-(4aS,7aR)-1-deuterio-N-phenyl-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]oxazin-2-imine
SpectraBase Compound ID 2gXeE05BcCG
InChI InChI=1S/C13H16N2O/c1-2-6-11(7-3-1)14-13-15-12-8-4-5-10(12)9-16-13/h1-3,6-7,10,12H,4-5,8-9H2,(H,14,15)/t10-,12-/m1/s1/i/hD
InChIKey HSKABALNKUKFSO-NZYISSIBSA-N
Mol Weight 217.29 g/mol
Molecular Formula C13H15DN2O
Exact Mass 217.13254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDlfoSVYzBT
Name cis-(4aS,7aR)-1-deuterio-N-phenyl-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]oxazin-2-imine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15DN2O
InChI InChI=1S/C13H16N2O/c1-2-6-11(7-3-1)14-13-15-12-8-4-5-10(12)9-16-13/h1-3,6-7,10,12H,4-5,8-9H2,(H,14,15)/t10-,12-/m1/s1/i/hD
InChIKey HSKABALNKUKFSO-NZYISSIBSA-N
Instrument Name VG Analytical 7070E
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/rcm.1290090716
Molecular Weight 217.290 g/mol
SMILES [C@@]12(COC(N([C@@]2(CCC1)[H])[D])=Nc1ccccc1)[H]
SPLASH splash10-014i-4900000000-35809c9daacbff7dc03b
Source of Spectrum RCM-9-618-1-D
Wiley ID 1835860