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5-(p-Tolyl)pent-4-ynoic acid - t-butyl ester
SpectraBase Compound ID Ah7pYuo6WEp
InChI InChI=1S/C16H20O2/c1-13-9-11-14(12-10-13)7-5-6-8-15(17)18-16(2,3)4/h9-12H,6,8H2,1-4H3
InChIKey WFDXJFUPTMVOHZ-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C16H20O2
Exact Mass 244.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IsQpt2ibM0
Name 5-(p-Tolyl)pent-4-ynoic acid - t-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2
InChI InChI=1S/C16H20O2/c1-13-9-11-14(12-10-13)7-5-6-8-15(17)18-16(2,3)4/h9-12H,6,8H2,1-4H3
InChIKey WFDXJFUPTMVOHZ-UHFFFAOYSA-N
Molecular Weight 244.334 g/mol
SMILES C(#CCCC(OC(C)(C)C)=O)c1ccc(cc1)C
SPLASH splash10-004j-0930000000-2cdde11ef7a55d2086ce
Source of Spectrum F5-6-2976-5m
Synonyms tert-Butyl 5-(p-tolyl)pent-4-ynoate
Wiley ID 1733524