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5-Methoxy-1,2,3,4-tetrahydro-1-naphthaleneacetic acid

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5-Methoxy-1,2,3,4-tetrahydro-1-naphthaleneacetic acid
SpectraBase Compound ID 6FeXPUdnShO
InChI InChI=1S/C13H16O3/c1-16-12-7-3-5-10-9(8-13(14)15)4-2-6-11(10)12/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,15)
InChIKey HUSQUBKEKXHDJY-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cc1tNz4615y
Name 5-Methoxy-1,2,3,4-tetrahydro-1-naphthaleneacetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.109944372 u
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-16-12-7-3-5-10-9(8-13(14)15)4-2-6-11(10)12/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,15)
InChIKey HUSQUBKEKXHDJY-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES C1(CCCC=2C(=CC=CC12)OC)CC(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.825081