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Tetrahydro-5-methyl-2-oxo-6-[(E)-prop-1'-enyl]-2H-pyran-4-yl (2"-bromo)benzoate
SpectraBase Compound ID AaOtUZDDEpn
InChI InChI=1S/C16H17BrO4/c1-3-6-13-10(2)14(9-15(18)20-13)21-16(19)11-7-4-5-8-12(11)17/h3-8,10,13-14H,9H2,1-2H3/b6-3+
InChIKey PBPXODMJQNAIHK-ZZXKWVIFSA-N
Mol Weight 353.21 g/mol
Molecular Formula C16H17BrO4
Exact Mass 352.031022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dovlm7IkOkA
Name Tetrahydro-5-methyl-2-oxo-6-[(E)-prop-1'-enyl]-2H-pyran-4-yl (2"-bromo)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17BrO4
InChI InChI=1S/C16H17BrO4/c1-3-6-13-10(2)14(9-15(18)20-13)21-16(19)11-7-4-5-8-12(11)17/h3-8,10,13-14H,9H2,1-2H3/b6-3+
InChIKey PBPXODMJQNAIHK-ZZXKWVIFSA-N
Molecular Weight 353.212 g/mol
SMILES C(c1c(Br)cccc1)(OC1CC(=O)OC(C1C)\C=C\C)=O
SPLASH splash10-052f-9100000000-d3cc98e9b4ae4561f320
Source of Spectrum H-76-156-4
Synonyms 3-Methyl-6-oxo-2-[(1E)-prop-1-en-1-yl]oxan-4-yl 2-bromobenzoate
Wiley ID 1343012