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2-Cyclohexyl-3-cyano-4-mesyloxymethyl-8a-methyl-4a.alpha.,8a.alpha.-perhydro-1,2-benzoxazine,unidentified sterioisomer B
SpectraBase Compound ID CeOrWC4dYgk
InChI InChI=1S/C18H30N2O4S/c1-18-11-7-6-10-16(18)15(13-23-25(2,21)22)17(12-19)20(24-18)14-8-4-3-5-9-14/h14-17H,3-11,13H2,1-2H3/t15?,16-,17?,18-/m0/s1
InChIKey PKGQYLHJFMQYOU-IKJBURDNSA-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 7w9dfslypjR
Name 2-Cyclohexyl-3-cyano-4-mesyloxymethyl-8a-methyl-4a.alpha.,8a.alpha.-perhydro-1,2-benzoxazine,unidentified sterioisomer B
CAS Registry Number 69739-41-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30N2O4S
InChI InChI=1S/C18H30N2O4S/c1-18-11-7-6-10-16(18)15(13-23-25(2,21)22)17(12-19)20(24-18)14-8-4-3-5-9-14/h14-17H,3-11,13H2,1-2H3/t15?,16-,17?,18-/m0/s1
InChIKey PKGQYLHJFMQYOU-IKJBURDNSA-N
Molecular Weight 370.508 g/mol
SMILES [C@]12(ON(C(C([C@@]1(CCCC2)[H])COS(=O)(=O)C)C#N)C1CCCCC1)C
SPLASH splash10-00di-0009000000-37179d73727d2cb00bf1
Source of Spectrum H-62-221-0
Synonyms 2-Cyclohexyl-3-cyano-4-mesyloxymethyl-8a-methyl-4a.alpha.,8a.alpha.-perhydro-1,2-benzoxazine,unidentified sterioisomer C 2H-1,2-Benzoxazine-3-carbonitrile, 2-cyclohexyloctahydro-8a-methyl-4-[[(methylsulfonyl)oxy]methyl]- 2-Cyclohexyl-3-cyano-4-mesyloxymethyl-8a-methyl-4a.alpha.,8a.alpha.-perhydro-1,2-benzoxazine,unidentified sterioisomer A [(4aS,8aS)-3-cyano-2-cyclohexyl-8a-methyloctahydro-2H-1,2-benzoxazin-4-yl]methyl methanesulfonate
Wiley ID 1354126