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Glutaric acid, myrtenyl cyclohexylmethyl ester
SpectraBase Compound ID GqM3NjFWp2I
InChI InChI=1S/C22H34O4/c1-22(2)18-12-11-17(19(22)13-18)15-26-21(24)10-6-9-20(23)25-14-16-7-4-3-5-8-16/h11,16,18-19H,3-10,12-15H2,1-2H3
InChIKey SRNKJFHDUOJIHW-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LRaSoqs3IQJ
Name Glutaric acid, myrtenyl cyclohexylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.245709571 u
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-22(2)18-12-11-17(19(22)13-18)15-26-21(24)10-6-9-20(23)25-14-16-7-4-3-5-8-16/h11,16,18-19H,3-10,12-15H2,1-2H3
InChIKey SRNKJFHDUOJIHW-UHFFFAOYSA-N
Molecular Weight 362.510 g/mol
SMILES C(CCC(OCC1CCCCC1)=O)C(OCC=1C2C(C(CC1)C2)(C)C)=O