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1,6a(3H)-Pentalenedicarboxylic acid, 6-cyano-3a,4,5,6-tetrahydro-2-hydroxy-3,3-dimethyl-, dimethyl ester, (3a.alpha.,6.alpha.,6a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1,6a(3H)-Pentalenedicarboxylic acid, 6-cyano-3a,4,5,6-tetrahydro-2-hydroxy-3,3-dimethyl-, dimethyl ester, (3a.alpha.,6.alpha.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID F6vUGXgyvWq
InChI InChI=1S/C15H19NO5/c1-14(2)9-6-5-8(7-16)15(9,13(19)21-4)10(11(14)17)12(18)20-3/h8-9,17H,5-6H2,1-4H3/t8-,9-,15+/m1/s1
InChIKey KXPDTZSONWTJDC-XWRVAKJBSA-N
Mol Weight 293.32 g/mol
Molecular Formula C15H19NO5
Exact Mass 293.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsfOIsxiUnt
Name 1,6a(3H)-Pentalenedicarboxylic acid, 6-cyano-3a,4,5,6-tetrahydro-2-hydroxy-3,3-dimethyl-, dimethyl ester, (3a.alpha.,6.alpha.,6a.alpha.)-(.+-.)-
Alternate Name(s) dimethyl (3aR,6S,6aR)-6-cyano-2-hydroxy-3,3-dimethyl-3a,4,5,6-tetrahydro-1,6a(3H)-pentalenedicarboxylate Dimethyl exo-8-cyano-3-hydroxy-4,4-dimethyl-cis-bicyclo[3.3.0]oct-2-ene-1,2-dicarboxylate dimethyl (3aR,6S,6aR)-6-cyano-2-hydroxy-3,3-dimethyl-3a,4,5,6-tetrahydropentalene-1,6a-dicarboxylate dimethyl (3aR,6S,6aR)-6-cyano-3,3-dimethyl-2-oxidanyl-3a,4,5,6-tetrahydropentalene-1,6a-dicarboxylate
CAS Registry Number 76679-89-5
Comments Less than 3 mono-isotopic peaks
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Formula C15H19NO5
InChI InChI=1S/C15H19NO5/c1-14(2)9-6-5-8(7-16)15(9,13(19)21-4)10(11(14)17)12(18)20-3/h8-9,17H,5-6H2,1-4H3/t8-,9-,15+/m1/s1
InChIKey KXPDTZSONWTJDC-XWRVAKJBSA-N
Molecular Weight 293.319 g/mol
SMILES OC1=C([C@]2([C@@](CC[C@@]2(C#N)[H])([H])C1(C)C)C(=O)OC)C(=O)OC
SPLASH splash10-0006-0090000000-da1863580a64d322862f
Source of Spectrum I-60-832-0
Wiley ID 1296262