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1-Naphthaleneacetic acid, 2-propenyl ester

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1-Naphthaleneacetic acid, 2-propenyl ester
SpectraBase Compound ID Ik3ePwkX6fr
InChI InChI=1S/C15H14O2/c1-2-10-17-15(16)11-13-8-5-7-12-6-3-4-9-14(12)13/h2-10H,11H2,1H3/b10-2+
InChIKey OCBNCRIUQRIJGA-WTDSWWLTSA-N
Mol Weight 226.27 g/mol
Molecular Formula C15H14O2
Exact Mass 226.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3gIbIbX7vkz
Name 1-Naphthaleneacetic acid, 2-propenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.099379689 u
Formula C15H14O2
InChI InChI=1S/C15H14O2/c1-2-10-17-15(16)11-13-8-5-7-12-6-3-4-9-14(12)13/h2-10H,11H2,1H3/b10-2+
InChIKey OCBNCRIUQRIJGA-WTDSWWLTSA-N
Molecular Weight 226.275 g/mol
SMILES C1=CC2=C(C=C1)C(=CC=C2)CC(=O)O\C=C\C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936515