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DL-(1-ALPHA,6-ALPHA,7-ALPHA)-8-ACETYL-6-(METHYLSULFONYLOXY)-(Z)-8-AZATETRACYCLO-[5.1.0.0(2,4).0(3,5)]-OCTAN-3-CARBONITRILE
SpectraBase Compound ID JBUrtwXKk9k
InChI InChI=1S/C11H12N2O4S/c1-4(14)13-8-6-5-7(11(5,6)3-12)10(9(8)13)17-18(2,15)16/h5-10H,1-2H3/t5-,6+,7-,8+,9+,10+,11+,13?/m0/s1
InChIKey ISDQOCXAXFDDAU-DJOZTQIQSA-N
Mol Weight 268.29 g/mol
Molecular Formula C11H12N2O4S
Exact Mass 268.051778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1fJHPAj4dpd
Name DL-(1-ALPHA,6-ALPHA,7-ALPHA)-8-ACETYL-6-(METHYLSULFONYLOXY)-(Z)-8-AZATETRACYCLO-[5.1.0.0(2,4).0(3,5)]-OCTAN-3-CARBONITRILE
CAS Registry Number 133796-67-5
Compound Number 19B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N2O4S
InChI InChI=1S/C11H12N2O4S/c1-4(14)13-8-6-5-7(11(5,6)3-12)10(9(8)13)17-18(2,15)16/h5-10H,1-2H3/t5-,6+,7-,8+,9+,10+,11+,13?/m0/s1
InChIKey ISDQOCXAXFDDAU-DJOZTQIQSA-N
Literature Reference Author B.TRUPP,H.FRITZ,H.PRINZBACH,H.IRNGARTINGER,U.REIFENSTAHL
Literature Reference Citation CHEM.BER.,124,1777(1991)
Literature Reference DOI 10.1002/cber.19911240815
Molecular Weight 268.287 g/mol
Solvent ACETONE-D6
Source File Reference UWCS11731