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Phthalic acid monobutyl ester
SpectraBase Compound ID 1tvbHIilfRM
InChI InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKey YZBOVSFWWNVKRJ-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48eMvoDAUaV
Name 1,2-Benzenedicarboxylic acid, monobutyl ester
Alternate Name(s) 2-(Butoxycarbonyl)benzoic acid 2-[butoxy(oxo)methyl]benzoic acid Butyl hydrogen phthalate MBP Mono-n-butyl phthalate Monobutyl phthalate Phthalic acid, monobutyl ester AI3-01768 BRN 2051402 EINECS 205-036-2 NSC 8479
CAS Registry Number 131-70-4
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Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKey YZBOVSFWWNVKRJ-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES OC(c1c(C(OCCCC)=O)cccc1)=O
SPLASH splash10-0k96-9200000000-1020a271ec8392551938
Source of Spectrum E-31-2079-34
Wiley ID 1222176