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Tetrahydro-2H-pyran-4-yl 2-iodobenzoate
SpectraBase Compound ID 2j0s0RGgmcQ
InChI InChI=1S/C12H13IO3/c13-11-4-2-1-3-10(11)12(14)16-9-5-7-15-8-6-9/h1-4,9H,5-8H2
InChIKey YRQROFYNPUIXMO-UHFFFAOYSA-N
Mol Weight 332.14 g/mol
Molecular Formula C12H13IO3
Exact Mass 331.990939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6icBBz8J3p
Name Tetrahydro-2H-pyran-4-yl 2-iodobenzoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.990939276 u
Formula C12H13IO3
InChI InChI=1S/C12H13IO3/c13-11-4-2-1-3-10(11)12(14)16-9-5-7-15-8-6-9/h1-4,9H,5-8H2
InChIKey YRQROFYNPUIXMO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103428
Molecular Weight 332.137 g/mol
Quality 31
Reported Formula C12H13IO3
SMILES C1OCCC(C1)OC(C1=C(C=CC=C1)I)=O
SPLASH splash10-001i-9020000000-9bd3cfe91989b6bef555
Source of Spectrum QE-27-SM16-1ad (DOI: 10.1002/chem.202103428)
Wiley ID 1904275