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boric acid, 4-ethyl-1-isobutylheptyl ester

View entire compound with spectra: 3 NMR

boric acid, 4-ethyl-1-isobutylheptyl ester
SpectraBase Compound ID 5Gt4no341ck
InChI InChI=1S/C39H81BO3/c1-13-19-34(16-4)22-25-37(28-31(7)8)41-40(42-38(29-32(9)10)26-23-35(17-5)20-14-2)43-39(30-33(11)12)27-24-36(18-6)21-15-3/h31-39H,13-30H2,1-12H3
InChIKey CLNCSRAGQAFLTA-UHFFFAOYSA-N
Mol Weight 608.9 g/mol
Molecular Formula C39H81BO3
Exact Mass 608.627877 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3azYOJo4oLQ
Name BORIC ACID, 4-ETHYL-1-ISOBUTYLHEPTYL ESTER
Source of Sample American Potash & Chemical Corporation, Los Angeles, California
Boiling Point 225C/0.6mm
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H81BO3
InChI InChI=1S/C39H81BO3/c1-13-19-34(16-4)22-25-37(28-31(7)8)41-40(42-38(29-32(9)10)26-23-35(17-5)20-14-2)43-39(30-33(11)12)27-24-36(18-6)21-15-3/h31-39H,13-30H2,1-12H3
InChIKey CLNCSRAGQAFLTA-UHFFFAOYSA-N
Molecular Weight 608.89
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BORIC ACID, 4-ETHYL-1-ISOBUTYL- HEPTYL ESTER 1-HEPTANOL, 1-ISOBUTYL-4-ETHYL-, BORATE