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1-Nonadecylcyclohexane-1,3,5-triol phenylboronate
SpectraBase Compound ID 6Sjk83zBNf5
InChI InChI=1S/C31H53BO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-26-29(33)25-30(27-31)34-32(35-31)28-22-19-18-20-23-28/h18-20,22-23,29-30,33H,2-17,21,24-27H2,1H3/t29-,30-,31+/m1/s1
InChIKey MKMFJLIWIVVWHJ-OLUZHXLYSA-N
Mol Weight 484.6 g/mol
Molecular Formula C31H53BO3
Exact Mass 484.408776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3igIpCByc4c
Name 1-Nonadecylcyclohexane-1,3,5-triol phenylboronate
Comments Less than 3 mono-isotopic peaks
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Formula C31H53BO3
InChI InChI=1S/C31H53BO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-26-29(33)25-30(27-31)34-32(35-31)28-22-19-18-20-23-28/h18-20,22-23,29-30,33H,2-17,21,24-27H2,1H3/t29-,30-,31+/m1/s1
InChIKey MKMFJLIWIVVWHJ-OLUZHXLYSA-N
Molecular Weight 484.572 g/mol
SMILES O[C@@]1(C[C@]2(OB(O[C@](C1)(CCCCCCCCCCCCCCCCCCC)C2)c1ccccc1)[H])[H]
SPLASH splash10-0a4i-0000900000-4eb7d507e9a1375d8239
Source of Spectrum Y1-44-1386-4
Synonyms 1-nonadecyl-3-phenyl-2,4-dioxa-3-borabicyclo[3.3.1]nonan-7-ol
Wiley ID 1621329