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1-{3-[1-Cyano-2,2-bis(methoxycarbonyl)cyclopropyl]phenyl}-5-tert-butyl-4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptane
SpectraBase Compound ID 2zcsbxBB1MK
InChI InChI=1S/C24H29NO7/c1-19(2,3)24-20(4,5)14-30-23(24,31-32-24)16-10-8-9-15(11-16)21(13-25)12-22(21,17(26)28-6)18(27)29-7/h8-11H,12,14H2,1-7H3
InChIKey SFTFTTVRMPVFTC-UHFFFAOYSA-N
Mol Weight 443.5 g/mol
Molecular Formula C24H29NO7
Exact Mass 443.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EOnIAoivBx
Name 1-{3-[1-Cyano-2,2-bis(methoxycarbonyl)cyclopropyl]phenyl}-5-tert-butyl-4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptane
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Formula C24H29NO7
InChI InChI=1S/C24H29NO7/c1-19(2,3)24-20(4,5)14-30-23(24,31-32-24)16-10-8-9-15(11-16)21(13-25)12-22(21,17(26)28-6)18(27)29-7/h8-11H,12,14H2,1-7H3
InChIKey SFTFTTVRMPVFTC-UHFFFAOYSA-N
Molecular Weight 443.496 g/mol
SMILES C1(C(c2cc(C34C(C(C)(C)CO4)(C(C)(C)C)OO3)ccc2)(C#N)C1)(C(=O)OC)C(=O)OC
SPLASH splash10-0f79-1099000000-80744abd09e8ff6b63d5
Source of Spectrum KC-61-9583-31
Synonyms Dimethyl 2-[3-(5-tert-butyl-4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]hept-1-yl)phenyl]-2-cyano-1,1-cyclopropanedicarboxylate
Wiley ID 1630749