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QUBDTHLFIKDCBG-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

QUBDTHLFIKDCBG-UHFFFAOYSA-N
SpectraBase Compound ID LfvnuTaZbyi
InChI InChI=1S/C13H12O/c1-12(14)8-4-2-5-9-13-10-6-3-7-11-13/h3,6-7,10-12,14H,8H2,1H3
InChIKey QUBDTHLFIKDCBG-UHFFFAOYSA-N
Mol Weight 184.24 g/mol
Molecular Formula C13H12O
Exact Mass 184.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FLToKErJ7G
Name 7-Phenyl-hepta-4,6-diyne-2-ol
Alternate Name(s) 7-Phenylhepta-4,6-diyn-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O
InChI InChI=1S/C13H12O/c1-12(14)8-4-2-5-9-13-10-6-3-7-11-13/h3,6-7,10-12,14H,8H2,1H3
InChIKey QUBDTHLFIKDCBG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200000152
Molecular Weight 184.238 g/mol
SMILES OC(C)CC#CC#Cc1ccccc1
SPLASH splash10-0016-0900000000-143f82b1aa4f60898b34
Source of Spectrum QA-47-1133-1
Wiley ID 1795154