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[(4R,4aS,7S,8aR)-4-(2-methoxyethoxymethoxy)-7-oxidanyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-4a-yl]methyl 2-cyanoethanoate

View entire compound with spectra: 1 MS (GC)

[(4R,4aS,7S,8aR)-4-(2-methoxyethoxymethoxy)-7-oxidanyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-4a-yl]methyl 2-cyanoethanoate
SpectraBase Compound ID 4UdCkFwvRDd
InChI InChI=1S/C18H27NO6/c1-22-9-10-23-13-25-16-4-2-3-14-11-15(20)5-7-18(14,16)12-24-17(21)6-8-19/h5,7,14-16,20H,2-4,6,9-13H2,1H3/t14-,15-,16-,18+/m1/s1
InChIKey HINSBBYYSDIJTQ-KONPQCLYSA-N
Mol Weight 353.42 g/mol
Molecular Formula C18H27NO6
Exact Mass 353.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9wcblr4pTI
Name [(4R,4aS,7S,8aR)-4-(2-methoxyethoxymethoxy)-7-oxidanyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-4a-yl]methyl 2-cyanoethanoate
Alternate Name(s) [(4R,4aS,7S,8aR)-7-hydroxy-4-(2-methoxyethoxymethoxy)-2,3,4,7,8,8a-hexahydro-1H-naphthalen-4a-yl]methyl 2-cyanoacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO6
InChI InChI=1S/C18H27NO6/c1-22-9-10-23-13-25-16-4-2-3-14-11-15(20)5-7-18(14,16)12-24-17(21)6-8-19/h5,7,14-16,20H,2-4,6,9-13H2,1H3/t14-,15-,16-,18+/m1/s1
InChIKey HINSBBYYSDIJTQ-KONPQCLYSA-N
Molecular Weight 353.415 g/mol
SMILES O[C@]1(C[C@@]2([C@](C=C1)(COC(CC#N)=O)[C@](OCOCCOC)(CCC2)[H])[H])[H]
SPLASH splash10-0a4r-9000000000-24f1efd9d1dc60932cd4
Source of Spectrum KC-1992-2753-35
Wiley ID 776935