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2-Naphthalenecarboxylic acid, 8-bromo-5-isopropoxy-4-methoxy-, methyl ester
SpectraBase Compound ID HoodWisD2iD
InChI InChI=1S/C16H17BrO4/c1-9(2)21-13-6-5-12(17)11-7-10(16(18)20-4)8-14(19-3)15(11)13/h5-9H,1-4H3
InChIKey VTJGYCRPUHJCSK-UHFFFAOYSA-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 4FGKvFoc2Ko
Name 2-Naphthalenecarboxylic acid, 8-bromo-5-isopropoxy-4-methoxy-, methyl ester
CAS Registry Number 267881-58-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17BrO4
InChI InChI=1S/C16H17BrO4/c1-9(2)21-13-6-5-12(17)11-7-10(16(18)20-4)8-14(19-3)15(11)13/h5-9H,1-4H3
InChIKey VTJGYCRPUHJCSK-UHFFFAOYSA-N
Molecular Weight 353.212 g/mol
SMILES c12c(cc(cc2OC)C(=O)OC)c(Br)ccc1OC(C)C
SPLASH splash10-03di-0029000000-d107204f01663ddaa40d
Source of Spectrum KC-0-805-30
Synonyms 8-Bromo-4-methoxy-5-propan-2-yloxy-2-naphthalenecarboxylic acid methyl ester 8-Bromo-5-isopropoxy-4-methoxy-naphthalene-2-carboxylic acid methyl ester Methyl 8-bromanyl-4-methoxy-5-propan-2-yloxy-naphthalene-2-carboxylate Methyl 8-bromo-4-methoxy-5-propan-2-yloxynaphthalene-2-carboxylate Methyl 8-bromo-5-isopropoxy-4-methoxy-2-naphthoate Methyl 8-bromo-5-isopropoxy-4-methoxy-naphthalene-2-carboxylate
Wiley ID 830182