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3,4-Diphenyl-3-buten-2-one
SpectraBase Compound ID IVviXFMnyJy
InChI InChI=1S/C16H14O/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3/b16-12-
InChIKey PXTNHINUEHWZIX-VBKFSLOCSA-N
Mol Weight 222.29 g/mol
Molecular Formula C16H14O
Exact Mass 222.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5X77uOBHwtU
Name 3,4-Diphenyl-3-buten-2-one
CAS Registry Number 1722-69-6
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 222.104465070 u
Formula C16H14O
InChI InChI=1S/C16H14O/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3/b16-12-
InChIKey PXTNHINUEHWZIX-VBKFSLOCSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 222.287 g/mol
Nominal Mass 222 u
Quality 986
Retention Index 1671
SMILES C1(\C(=C/C2=CC=CC=C2)C(=O)C)=CC=CC=C1
SPLASH splash10-004i-3930000000-96ff556a1938ac0c77ce
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3,4-diphenylbut-3-en-2-one
Technique GC/MS
Wiley ID DD2024_019628