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(2E)-4-{1-[(tert-Butyl)carbamoyl]-4-methylcyclohexyl}-2-[(tert-butyl)imino]-2,5-dihydro-5-oxofuran-3-yl 4-Chlorobenzoate
SpectraBase Compound ID 1Cxgv4VoIoG
InChI InChI=1S/C27H35ClN2O5/c1-16-12-14-27(15-13-16,24(33)30-26(5,6)7)19-20(21(35-23(19)32)29-25(2,3)4)34-22(31)17-8-10-18(28)11-9-17/h8-11,16H,12-15H2,1-7H3,(H,30,33)/b29-21+
InChIKey INABQIFBTZFEOP-XHLNEMQHSA-N
Mol Weight 503.0 g/mol
Molecular Formula C27H35ClN2O5
Exact Mass 502.22345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6Hmrc3YlrD
Name (2E)-4-{1-[(tert-Butyl)carbamoyl]-4-methylcyclohexyl}-2-[(tert-butyl)imino]-2,5-dihydro-5-oxofuran-3-yl 4-Chlorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35ClN2O5
InChI InChI=1S/C27H35ClN2O5/c1-16-12-14-27(15-13-16,24(33)30-26(5,6)7)19-20(21(35-23(19)32)29-25(2,3)4)34-22(31)17-8-10-18(28)11-9-17/h8-11,16H,12-15H2,1-7H3,(H,30,33)/b29-21+
InChIKey INABQIFBTZFEOP-XHLNEMQHSA-N
Literature Reference DOI 10.1002/hlca.201000359
Molecular Weight 503.039 g/mol
SMILES N(C(C)(C)C)C(C1(C2=C(OC(c3ccc(cc3)Cl)=O)\C(OC2=O)=N/C(C)(C)C)CCC(CC1)C)=O
SPLASH splash10-000i-1910000000-7d60354f02ec722c1435
Source of Spectrum H-94-1810-4h
Synonyms (E)-4-(1-(tert-butylcarbamoyl)-4-methylcyclohexyl)-2-(tert-butylimino)-5-oxo-2,5-dihydrofuran-3-yl 4-chlorobenzoate
Wiley ID 1785887