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1-Isobutyl-2-pentynyl 4-butylbenzoate
SpectraBase Compound ID 1GgzOsDcYZ8
InChI InChI=1S/C20H28O2/c1-5-7-9-17-11-13-18(14-12-17)20(21)22-19(10-8-6-2)15-16(3)4/h11-14,16,19H,5-7,9,15H2,1-4H3
InChIKey MHZZLZDIBWJACG-UHFFFAOYSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDqFBJgkn4f
Name 1-Isobutyl-2-pentynyl 4-butylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-5-7-9-17-11-13-18(14-12-17)20(21)22-19(10-8-6-2)15-16(3)4/h11-14,16,19H,5-7,9,15H2,1-4H3
InChIKey MHZZLZDIBWJACG-UHFFFAOYSA-N
Molecular Weight 300.442 g/mol
SMILES C(=O)(OC(C#CCC)CC(C)C)c1ccc(CCCC)cc1
SPLASH splash10-03di-2900000000-474ae7a5932bad7cc859
Source of Spectrum NP-10-1284-0
Synonyms 4-Butylbenzoic acid, 2-methyloct-5-yn-4-yl ester 4-Butylbenzoic acid 2-methyloct-5-yn-4-yl ester 1-isobutylpent-2-ynyl 4-butylbenzoate 2-Methyloct-5-yn-4-yl 4-butylbenzoate
Wiley ID 1108675