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(1R,2S,3S,4S)-bis((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(1R,2S,3S,4S)-bis((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SpectraBase Compound ID DgUzKVsUFHc
InChI InChI=1S/C29H46O4/c1-16(2)22-11-7-18(5)13-24(22)32-28(30)26-20-9-10-21(15-20)27(26)29(31)33-25-14-19(6)8-12-23(25)17(3)4/h9-10,16-27H,7-8,11-15H2,1-6H3/t18-,19-,20-,21+,22+,23+,24-,25-,26+,27+/m1/s1
InChIKey BVQYOJFRQWRPGV-LOMSNOTCSA-N
Mol Weight 458.7 g/mol
Molecular Formula C29H46O4
Exact Mass 458.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNKkNEv1T5s
Name bis(1'R,2'S,5'R)-Menthyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2-endo,3-exo-dicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.339609957 u
Formula C29H46O4
InChI InChI=1S/C29H46O4/c1-16(2)22-11-7-18(5)13-24(22)32-28(30)26-20-9-10-21(15-20)27(26)29(31)33-25-14-19(6)8-12-23(25)17(3)4/h9-10,16-27H,7-8,11-15H2,1-6H3/t18-,19-,20-,21+,22+,23+,24-,25-,26+,27+/m1/s1
InChIKey BVQYOJFRQWRPGV-LOMSNOTCSA-N
Molecular Weight 458.683 g/mol
SMILES C([C@@]1([C@@](C(O[C@]2([C@@](CC[C@](C2)(C)[H])(C(C)C)[H])[H])=O)([C@@]2(C[C@]1(C=C2)[H])[H])[H])[H])(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O