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bis(1'R,2'S,5'R)-Menthyl) (2S,3S)-7-oxabicyclo[2.2.1]heptane-2-endo,3-exo-dicarboxylate

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bis(1'R,2'S,5'R)-Menthyl) (2S,3S)-7-oxabicyclo[2.2.1]heptane-2-endo,3-exo-dicarboxylate
SpectraBase Compound ID 3WJv0UkWNmX
InChI InChI=1S/C28H46O5/c1-15(2)19-9-7-17(5)13-23(19)32-27(29)25-21-11-12-22(31-21)26(25)28(30)33-24-14-18(6)8-10-20(24)16(3)4/h15-26H,7-14H2,1-6H3/t17-,18-,19+,20+,21-,22+,23-,24-,25-,26+/m1/s1
InChIKey RSNYAMGTMQZHCQ-FMNHYDELSA-N
Mol Weight 462.7 g/mol
Molecular Formula C28H46O5
Exact Mass 462.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8HJ7h2q2yn
Name bis(1'R,2'S,5'R)-Menthyl) (2S,3S)-7-oxabicyclo[2.2.1]heptane-2-endo,3-exo-dicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.334524576 u
Formula C28H46O5
InChI InChI=1S/C28H46O5/c1-15(2)19-9-7-17(5)13-23(19)32-27(29)25-21-11-12-22(31-21)26(25)28(30)33-24-14-18(6)8-10-20(24)16(3)4/h15-26H,7-14H2,1-6H3/t17-,18-,19+,20+,21-,22+,23-,24-,25-,26+/m1/s1
InChIKey RSNYAMGTMQZHCQ-FMNHYDELSA-N
Molecular Weight 462.671 g/mol
SMILES [C@]1([C@](C(O[C@]2([C@@](CC[C@](C2)(C)[H])(C(C)C)[H])[H])=O)([C@]2(O[C@@]1(CC2)[H])[H])[H])(C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)[H]