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2-(5-Phenylpenta-1,4-dien-3-yl)malonate

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

2-(5-Phenylpenta-1,4-dien-3-yl)malonate
SpectraBase Compound ID 72zIYVWrM9n
InChI InChI=1S/C16H18O4/c1-4-13(11-10-12-8-6-5-7-9-12)14(15(17)19-2)16(18)20-3/h4-11,13-14H,1H2,2-3H3/b11-10+
InChIKey QTIJTUKRXGYXHC-ZHACJKMWSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GIFq7EzufD
Name 2-(5-Phenylpenta-1,4-dien-3-yl)malonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.120509056 u
Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-4-13(11-10-12-8-6-5-7-9-12)14(15(17)19-2)16(18)20-3/h4-11,13-14H,1H2,2-3H3/b11-10+
InChIKey QTIJTUKRXGYXHC-ZHACJKMWSA-N
SMILES C(C(=O)OC)(C(=O)OC)C(\C=C\C=1C=CC=CC1)C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972916