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2-Oxa-3-azabicyclo[4.4.0]decane-5-methanol, 4-cyano-3-cyclohexyl-, methanesulfonate
SpectraBase Compound ID AwFo4nb7E1Q
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
InChIKey PKGQYLHJFMQYOU-UHFFFAOYSA-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 EAfYu6saRIl
Name 2-Oxa-3-azabicyclo[4.4.0]decane-5-methanol, 4-cyano-3-cyclohexyl-, methanesulfonate
CAS Registry Number 72597-38-7
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
InChIKey PKGQYLHJFMQYOU-UHFFFAOYSA-N
Molecular Weight 370.508 g/mol
SMILES C12C(C(N(OC2(C)CCCC1)C1CCCCC1)C#N)COS(=O)(C)=O
SPLASH splash10-00di-9711000000-fdc80ebf88338153432b
Synonyms (3-cyano-2-cyclohexyl-8a-methyl-4,4a,5,6,7,8-hexahydro-3H-benzo[e]oxazin-4-yl)methyl methanesulfonate (3-cyano-2-cyclohexyl-8a-methyl-4,4a,5,6,7,8-hexahydro-3H-benzo[e][1,2]oxazin-4-yl)methyl methanesulfonate (3-Cyano-2-cyclohexyl-8a-methyloctahydro-2H-1,2-benzoxazin-4-yl)methyl methanesulfonate Methanesulfonic acid (3-cyano-2-cyclohexyl-8a-methyl-4,4a,5,6,7,8-hexahydro-3H-benzo[e]oxazin-4-yl)methyl ester
Wiley ID 1479606