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Phthalofyne
SpectraBase Compound ID 5KZDmJ9tHXT
InChI InChI=1S/C14H14O4/c1-4-14(3,5-2)18-13(17)11-9-7-6-8-10(11)12(15)16/h1,6-9H,5H2,2-3H3,(H,15,16)
InChIKey CZGIRAWWWHPJHM-UHFFFAOYSA-N
Mol Weight 246.26 g/mol
Molecular Formula C14H14O4
Exact Mass 246.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnYiqRVYIWV
Name 2-([(1-Ethyl-1-methyl-2-propynyl)oxy]carbonyl)benzoic acid
CAS Registry Number 131-67-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O4
InChI InChI=1S/C14H14O4/c1-4-14(3,5-2)18-13(17)11-9-7-6-8-10(11)12(15)16/h1,6-9H,5H2,2-3H3,(H,15,16)
InChIKey CZGIRAWWWHPJHM-UHFFFAOYSA-N
Molecular Weight 246.262 g/mol
SMILES OC(=O)c1c(cccc1)C(OC(CC)(C#C)C)=O
SPLASH splash10-0f9t-9300000000-3ad4bafa78b7449dac22
Source of Spectrum NP-6-8693-0
Synonyms 1,2-Benzenedicarboxylic acid, mono(1-ethyl-1-methyl-2-propynyl) ester 1-Pentyn-3-ol, 3-methyl-, phthalate monoester 2-(1-Ethyl-1-methyl-prop-2-ynoxy)carbonylbenzoic acid 2-(3-Methylpent-1-yn-3-yloxycarbonyl)benzoic acid 2-[3-methylpent-1-yn-3-yloxy(oxo)methyl]benzoic acid 3-Methyl-1-pentyn-3-yl acid phthalate Ftalofino Ftalofyne Ftalofynum Methalofyne Mono(1-ethyl-1-methyl-2-propynyl) phthalate Phthalic acid, 3-methyl-1-pentyn-3-yl monoester Phthalic acid, mono(1-ethyl-1-methyl-2-propynyl) ester Phthalofyne Whipcide NSC 25614
Wiley ID 1106092