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(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
SpectraBase Compound ID 2rrOZoYJrie
InChI InChI=1S/C23H35BO4/c1-15(2)19-13-8-16(3)14-20(19)26-21(25)17-9-11-18(12-10-17)24-27-22(4,5)23(6,7)28-24/h9-12,15-16,19-20H,8,13-14H2,1-7H3/t16-,19+,20-/m0/s1
InChIKey IBGKYMPFJYZFEY-DBVUQKKJSA-N
Mol Weight 386.3 g/mol
Molecular Formula C23H35BO4
Exact Mass 386.26284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnZjHTeWDyt
Name (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Appearance Yellowish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H35BO4
InChI InChI=1S/C23H35BO4/c1-15(2)19-13-8-16(3)14-20(19)26-21(25)17-9-11-18(12-10-17)24-27-22(4,5)23(6,7)28-24/h9-12,15-16,19-20H,8,13-14H2,1-7H3/t16-,19+,20-/m0/s1
InChIKey IBGKYMPFJYZFEY-DBVUQKKJSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201904842
Molecular Weight 386.339 g/mol
Reported Formula C23H35O4B
SMILES c1(ccc(cc1)B1OC(C(O1)(C)C)(C)C)C(=O)O[C@@]1([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H]
SPLASH splash10-001a-3950000000-69300f5962961fe518ca
Source of Spectrum QE-26-SM12-4t
Wiley ID 1858653