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6-Tert-Butyl 1-methyl 2-benzylhexanedioate
SpectraBase Compound ID NFiEk56iTR
InChI InChI=1S/C18H26O4/c1-18(2,3)22-16(19)12-8-11-15(17(20)21-4)13-14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3
InChIKey PUVOTMPFBUGWQA-UHFFFAOYSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22JCt9IPvk
Name 6-Tert-Butyl 1-methyl 2-benzylhexanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-18(2,3)22-16(19)12-8-11-15(17(20)21-4)13-14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3
InChIKey PUVOTMPFBUGWQA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200600355
Molecular Weight 306.402 g/mol
SMILES C(=O)(OC)C(Cc1ccccc1)CCCC(=O)OC(C)(C)C
SPLASH splash10-052f-9820000000-a0a3745a12262ad19e62
Source of Spectrum ASC-349-432/SM19-29
Wiley ID 1765488