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QLWMDSAMEIJLQB-UHFFFAOYSA-N

View entire compound with spectra: 3 NMR, 1 FTIR, and 2 MS (GC)

QLWMDSAMEIJLQB-UHFFFAOYSA-N
SpectraBase Compound ID YoDKkolEmp
InChI InChI=1S/C9H11BO2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6H,4,7-8H2
InChIKey QLWMDSAMEIJLQB-UHFFFAOYSA-N
Mol Weight 162.0 g/mol
Molecular Formula C9H11BO2
Exact Mass 162.08521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQ8M5rlCYb
Name 1,3,2-Dioxaborinane, 2-phenyl-
CAS Registry Number 4406-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11BO2
InChI InChI=1S/C9H11BO2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6H,4,7-8H2
InChIKey QLWMDSAMEIJLQB-UHFFFAOYSA-N
Molecular Weight 161.995 g/mol
SMILES c1(B2OCCCO2)ccccc1
SPLASH splash10-0bt9-7900000000-c1db67a0f0bbdb087819
Source of Spectrum I-49-1769-1
Synonyms 2-Phenyl-1,3,2-dioxaborinane
Wiley ID 1158491