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(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl-(2S)-2-[(2-oxo-2Hchromen-7-yl)oxy]propanoate

View entire compound with spectra: 1 MS (GC)

(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl-(2S)-2-[(2-oxo-2Hchromen-7-yl)oxy]propanoate
SpectraBase Compound ID AbHHBonLhmA
InChI InChI=1S/C22H28O5/c1-13(2)18-9-5-14(3)11-20(18)27-22(24)15(4)25-17-8-6-16-7-10-21(23)26-19(16)12-17/h6-8,10,12-15,18,20H,5,9,11H2,1-4H3/t14-,15+,18?,20-/m1/s1
InChIKey QOCFFJKZZOPANL-JBLULZNDSA-N
Mol Weight 372.46 g/mol
Molecular Formula C22H28O5
Exact Mass 372.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3L0xGOL89Wr
Name (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl-(2S)-2-[(2-oxo-2Hchromen-7-yl)oxy]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O5
InChI InChI=1S/C22H28O5/c1-13(2)18-9-5-14(3)11-20(18)27-22(24)15(4)25-17-8-6-16-7-10-21(23)26-19(16)12-17/h6-8,10,12-15,18,20H,5,9,11H2,1-4H3/t14-,15+,18?,20-/m1/s1
InChIKey QOCFFJKZZOPANL-JBLULZNDSA-N
Literature Reference DOI 10.1002/cmdc.200900009
Molecular Weight 372.461 g/mol
SMILES C([C@](C)(Oc1ccc2C=CC(Oc2c1)=O)[H])(=O)O[C@]1(C(CC[C@](C1)(C)[H])C(C)C)[H]
SPLASH splash10-001i-9621000000-12bce2d60b97074816ea
Source of Spectrum CMC-4-778-13b
Synonyms (2S)-(1R,5R)-2-isopropyl-5-methylcyclohexyl 2-((2-oxo-2H-chromen-7-yl)oxy)propanoate
Wiley ID 1771600