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Punicanyl benzoate

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

Punicanyl benzoate
SpectraBase Compound ID CgyNTusIvyf
InChI InChI=1S/C16H22O3/c1-2-3-5-11-15(17)12-8-13-19-16(18)14-9-6-4-7-10-14/h3-7,9-10,15,17H,2,8,11-13H2,1H3/b5-3+
InChIKey SNZDGEJBNXDUOT-HWKANZROSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kj5hr35MvsX
Name Punicanyl benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.156894565 u
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-2-3-5-11-15(17)12-8-13-19-16(18)14-9-6-4-7-10-14/h3-7,9-10,15,17H,2,8,11-13H2,1H3/b5-3+
InChIKey SNZDGEJBNXDUOT-HWKANZROSA-N
Molecular Weight 262.349 g/mol
SMILES C=1C=CC=C(C1)C(OCCCC(C\C=C\CC)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94793