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Borinic acid, (2-methylcyclohexyl)(1-methylpropyl)-, methyl ester, trans-
SpectraBase Compound ID JJhDuM44QST
InChI InChI=1S/C12H25BO/c1-5-11(3)13(14-4)12-9-7-6-8-10(12)2/h10-12H,5-9H2,1-4H3/t10-,11?,12-/m1/s1
InChIKey QGHIWFBPIPSREM-IGBJHFKCSA-N
Mol Weight 196.1 g/mol
Molecular Formula C12H25BO
Exact Mass 196.199846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4g71MClwThz
Name Borinic acid, (2-methylcyclohexyl)(1-methylpropyl)-, methyl ester, trans-
Alternate Name(s) (trans-2-methylcyclohexyl)-2-butylmethoxyborane Methyl sec-butyl[(1R,2R)-2-methylcyclohexyl]borinate
CAS Registry Number 123569-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H25BO
InChI InChI=1S/C12H25BO/c1-5-11(3)13(14-4)12-9-7-6-8-10(12)2/h10-12H,5-9H2,1-4H3/t10-,11?,12-/m1/s1
InChIKey QGHIWFBPIPSREM-IGBJHFKCSA-N
Molecular Weight 196.141 g/mol
SMILES [C@@]1(B(C(CC)C)OC)([C@](C)(CCCC1)[H])[H]
SPLASH splash10-0a4l-9200000000-31c602f7a58ede4a1247
Source of Spectrum J-54-6094-0
Wiley ID 1193813