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Benzyl 2-(cyclopropylmethyl)buta-2,3-dienoate

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

Benzyl 2-(cyclopropylmethyl)buta-2,3-dienoate
SpectraBase Compound ID 4bngdntJd0f
InChI InChI=1S/C15H16O2/c1-2-14(10-12-8-9-12)15(16)17-11-13-6-4-3-5-7-13/h3-7,12H,1,8-11H2
InChIKey NBOACPCIXNXNJQ-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C15H16O2
Exact Mass 228.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BOCxf0NQbOB
Name Benzyl 2-(cyclopropylmethyl)buta-2,3-dienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.115029753 u
Formula C15H16O2
InChI InChI=1S/C15H16O2/c1-2-14(10-12-8-9-12)15(16)17-11-13-6-4-3-5-7-13/h3-7,12H,1,8-11H2
InChIKey NBOACPCIXNXNJQ-UHFFFAOYSA-N
Molecular Weight 228.291 g/mol
SMILES C(C1CC1)C(=C=C)C(=O)OCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97456