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1-Isobutyl-2-pentynyl 4-ethylbenzoate
SpectraBase Compound ID LdKoaXHq63d
InChI InChI=1S/C18H24O2/c1-5-7-8-17(13-14(3)4)20-18(19)16-11-9-15(6-2)10-12-16/h9-12,14,17H,5-6,13H2,1-4H3
InChIKey ZMVHFIKUBUHYDD-UHFFFAOYSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BflO9kBMTHo
Name 1-Isobutyl-2-pentynyl 4-ethylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-5-7-8-17(13-14(3)4)20-18(19)16-11-9-15(6-2)10-12-16/h9-12,14,17H,5-6,13H2,1-4H3
InChIKey ZMVHFIKUBUHYDD-UHFFFAOYSA-N
Molecular Weight 272.388 g/mol
SMILES C(=O)(OC(C#CCC)CC(C)C)c1ccc(CC)cc1
SPLASH splash10-001i-2900000000-afa1b28d09055ef6cc5f
Source of Spectrum NP-8-4743-0
Synonyms 4-Ethylbenzoic acid, 2-methyloct-5-yn-4-yl ester 4-Ethylbenzoic acid 2-methyloct-5-yn-4-yl ester 1-isobutylpent-2-ynyl 4-ethylbenzoate 2-Methyloct-5-yn-4-yl 4-ethylbenzoate
Wiley ID 1107335