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2-Benzofuranacetic acid, 5-bromo-2,3-dihydro-3,3-dimethyl-, ethyl ester
SpectraBase Compound ID 3WP1aDxr2sk
InChI InChI=1S/C14H17BrO3/c1-4-17-13(16)8-12-14(2,3)10-7-9(15)5-6-11(10)18-12/h5-7,12H,4,8H2,1-3H3
InChIKey LOMPXNIKURWZET-UHFFFAOYSA-N
Mol Weight 313.19 g/mol
Molecular Formula C14H17BrO3
Exact Mass 312.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZnOB28oP1N
Name 2-Benzofuranacetic acid, 5-bromo-2,3-dihydro-3,3-dimethyl-, ethyl ester
Alternate Name(s) Ethyl (5-bromo-3,3-dimethyl-2,3-dihydro-1-benzofuran-2-yl)acetate Ethyl 5-bromo-2,3-dihydro-3,3-dimethyl-2-benzofuranacetate
CAS Registry Number 115941-94-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17BrO3
InChI InChI=1S/C14H17BrO3/c1-4-17-13(16)8-12-14(2,3)10-7-9(15)5-6-11(10)18-12/h5-7,12H,4,8H2,1-3H3
InChIKey LOMPXNIKURWZET-UHFFFAOYSA-N
Molecular Weight 313.191 g/mol
SMILES C1(C(c2cc(Br)ccc2O1)(C)C)CC(=O)OCC
SPLASH splash10-0200-0093000000-1a2ad84337b8214f6a13
Source of Spectrum C-110-6506-12
Wiley ID 1312945