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(5R)-N-(1-Adamantyl)-5-(benzoyloxymethyl)-1,3-oxathiolan-2-imine
SpectraBase Compound ID D3VNR4eoQ2o
InChI InChI=1S/C21H25NO3S/c23-19(17-4-2-1-3-5-17)24-12-18-13-26-20(25-18)22-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-16,18H,6-13H2/b22-20-/t14-,15+,16-,18-,21-/m1/s1
InChIKey NSZKHGKESHZBNP-QSTHLJEVSA-N
Mol Weight 371.5 g/mol
Molecular Formula C21H25NO3S
Exact Mass 371.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdShlSH7YMn
Name (5R)-N-(1-Adamantyl)-5-(benzoyloxymethyl)-1,3-oxathiolan-2-imine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO3S
InChI InChI=1S/C21H25NO3S/c23-19(17-4-2-1-3-5-17)24-12-18-13-26-20(25-18)22-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-16,18H,6-13H2/b22-20-/t14-,15+,16-,18-,21-/m1/s1
InChIKey NSZKHGKESHZBNP-QSTHLJEVSA-N
Molecular Weight 371.495 g/mol
SMILES C12(\N=C/3SC[C@](O3)(COC(=O)c3ccccc3)[H])C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-0596-3900000000-53759020298775c1ba83
Source of Spectrum F4-43-3206-1a
Wiley ID 1690452