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Pimelic acid, 1-(4-bromophenyl)ethyl propyl ester
SpectraBase Compound ID 54v5pJ6MS4P
InChI InChI=1S/C18H25BrO4/c1-3-13-22-17(20)7-5-4-6-8-18(21)23-14(2)15-9-11-16(19)12-10-15/h9-12,14H,3-8,13H2,1-2H3
InChIKey NOIITHROLUXCJZ-UHFFFAOYSA-N
Mol Weight 385.3 g/mol
Molecular Formula C18H25BrO4
Exact Mass 384.093622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5oF3ggrqxs5
Name Pimelic acid, 1-(4-bromophenyl)ethyl propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25BrO4
InChI InChI=1S/C18H25BrO4/c1-3-13-22-17(20)7-5-4-6-8-18(21)23-14(2)15-9-11-16(19)12-10-15/h9-12,14H,3-8,13H2,1-2H3
InChIKey NOIITHROLUXCJZ-UHFFFAOYSA-N
Molecular Weight 385.298 g/mol
SMILES C(CCCCCC(OC(C)c1ccc(cc1)Br)=O)(OCCC)=O
SPLASH splash10-0kd3-3900000000-a17cb35e56bd1cf9084b
Source of Spectrum TIPS-2022-727-0
Wiley ID 1822244