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Dimethyl 5-tert-butylisophthalate
SpectraBase Compound ID 9E9H0ano7ak
InChI InChI=1S/C14H18O4/c1-14(2,3)11-7-9(12(15)17-4)6-10(8-11)13(16)18-5/h6-8H,1-5H3
InChIKey GLEMMBGHLUCOIN-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WHEoSeIPTI
Name Dimethyl 5-tert-butylisophthalate
Alternate Name(s) 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, dimethyl ester 5-tert-Butylbenzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 5-tert-butylbenzene-1,3-dicarboxylate
CAS Registry Number 16308-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-14(2,3)11-7-9(12(15)17-4)6-10(8-11)13(16)18-5/h6-8H,1-5H3
InChIKey GLEMMBGHLUCOIN-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES CC(C)(C)c1cc(cc(c1)C(=O)OC)C(=O)OC
SPLASH splash10-00kr-4960000000-0075296d7af1e1675e94
Source of Spectrum W5-1989-5133-1
Wiley ID 1253316