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1-Oxa-2-azaspiro[5.5]undecane-3-carbonitrile, 2-cyclohexyl-4-[[(methylsulfonyl)oxy]methyl]-, trans-(.+-.)-
SpectraBase Compound ID BEYiNR6IhOX
InChI InChI=1S/C18H30N2O4S/c1-25(21,22)23-14-15-12-18(10-6-3-7-11-18)24-20(17(15)13-19)16-8-4-2-5-9-16/h15-17H,2-12,14H2,1H3/t15-,17-/m1/s1
InChIKey NWYGQRKZPBWXCA-NVXWUHKLSA-N
Mol Weight 370.51 g/mol
Molecular Formula C18H30N2O4S
Exact Mass 370.192629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FumnVBQb90j
Name 1-Oxa-2-azaspiro[5.5]undecane-3-carbonitrile, 2-cyclohexyl-4-[[(methylsulfonyl)oxy]methyl]-, trans-(.+-.)-
CAS Registry Number 69989-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30N2O4S
InChI InChI=1S/C18H30N2O4S/c1-25(21,22)23-14-15-12-18(10-6-3-7-11-18)24-20(17(15)13-19)16-8-4-2-5-9-16/h15-17H,2-12,14H2,1H3/t15-,17-/m1/s1
InChIKey NWYGQRKZPBWXCA-NVXWUHKLSA-N
Molecular Weight 370.508 g/mol
SMILES [C@]1(N(OC2(C[C@@]1(COS(=O)(=O)C)[H])CCCCC2)C1CCCCC1)(C#N)[H]
SPLASH splash10-0fk9-0029000000-6fdac12dc1fd542194a3
Source of Spectrum H-62-221-0
Synonyms 2-Cyclohexyl-3-cyano-4-mesyloxymethyl-5,5-pentamethylene-1,2-tetrahydrooxazine,unidentified stereoisomer A [(3S,4S)-3-cyano-2-cyclohexyl-1-oxa-2-azaspiro[5.5]undec-4-yl]methyl methanesulfonate
Wiley ID 1354127