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3-Butynoic acid, 2,2-dimethyl-4-phenyl-, ethyl ester
SpectraBase Compound ID CB6c4NYW7Zr
InChI InChI=1S/C14H16O2/c1-4-16-13(15)14(2,3)11-10-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
InChIKey ZDDMZBLXYJNVEC-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tvVu3LnlJQ
Name 3-Butynoic acid, 2,2-dimethyl-4-phenyl-, ethyl ester
Alternate Name(s) Ethyl 2,2-dimethyl-4-phenyl-3-butynoate Ethyl 2,2-dimethyl-4-phenylbut-3-ynoate
CAS Registry Number 83188-31-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-4-16-13(15)14(2,3)11-10-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
InChIKey ZDDMZBLXYJNVEC-UHFFFAOYSA-N
Molecular Weight 216.280 g/mol
SMILES C(#Cc1ccccc1)C(C(=O)OCC)(C)C
SPLASH splash10-0006-0910000000-49c890417bc4a00f63c1
Source of Spectrum C-106-3561-0
Wiley ID 1215827