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(1S,2S,6R,8S)-2,9,9-trimethyl-4-(2-naphthyloxymethyl)-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
SpectraBase Compound ID 3DenT6VSeuz
InChI InChI=1S/C21H25BO3/c1-20(2)16-11-18(20)21(3)19(12-16)24-22(25-21)13-23-17-9-8-14-6-4-5-7-15(14)10-17/h4-10,16,18-19H,11-13H2,1-3H3/t16-,18-,19+,21-/m0/s1
InChIKey CMJKAGFGXNCSFJ-ROPHOZQPSA-N
Mol Weight 336.2 g/mol
Molecular Formula C21H25BO3
Exact Mass 336.189675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJ9AiXieBi4
Name (1S,2S,6R,8S)-2,9,9-trimethyl-4-(2-naphthyloxymethyl)-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25BO3
InChI InChI=1S/C21H25BO3/c1-20(2)16-11-18(20)21(3)19(12-16)24-22(25-21)13-23-17-9-8-14-6-4-5-7-15(14)10-17/h4-10,16,18-19H,11-13H2,1-3H3/t16-,18-,19+,21-/m0/s1
InChIKey CMJKAGFGXNCSFJ-ROPHOZQPSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/jacs.2c03621
Molecular Weight 336.238 g/mol
Quality 431
SMILES [C@@]12(OB(O[C@@]2(C[C@]2(C([C@@]1(C2)[H])(C)C)[H])[H])COC1=CC=C2C(=C1)C=CC=C2)C
SPLASH splash10-016r-6900000000-515ab67406b08f366bce
Source of Spectrum C-144-SM42-42-4 (DOI: 10.1021/jacs.2c03621)
Wiley ID 1910690