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3a,3b,4,6a,7,7a-Hexahydro-3,4,7-metheno-3H-cyclopenta(A)pentalene-1,2-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID HjCkMv4YUQK
InChI InChI=1S/C16H16O4/c1-19-15(17)13-11-8-5-3-4-6-7(5)10(11)12(9(6)8)14(13)16(18)20-2/h3-12H,1-2H3/t5-,6-,7-,8+,9-,10+,11+,12+/m1/s1
InChIKey XRAWORWDCDAGNT-NFFPDGQRSA-N
Mol Weight 272.3 g/mol
Molecular Formula C16H16O4
Exact Mass 272.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2czXyZ919om
Name 3a,3b,4,6a,7,7a-Hexahydro-3,4,7-metheno-3H-cyclopenta(A)pentalene-1,2-dicarboxylic acid, dimethyl ester
CAS Registry Number 53282-96-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H16O4
InChI InChI=1S/C16H16O4/c1-19-15(17)13-11-8-5-3-4-6-7(5)10(11)12(9(6)8)14(13)16(18)20-2/h3-12H,1-2H3/t5-,6-,7-,8+,9-,10+,11+,12+/m1/s1
InChIKey XRAWORWDCDAGNT-NFFPDGQRSA-N
Instrument Name Bruker HX-90
Literature Reference L.A. Paquette, M.J. Wyvratt, H.C.Berk, J. Am. Chem. Soc. 100, 5845 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3