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2-Acetylenanthic acid methyl ester
SpectraBase Compound ID FEMmE2No7f0
InChI InChI=1S/C10H18O3/c1-4-5-6-7-9(8(2)11)10(12)13-3/h9H,4-7H2,1-3H3
InChIKey SIQGUWOXOTYXHP-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkV122YWkOi
Name 2-Acetylenanthic acid methyl ester
CAS Registry Number 68776-86-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-4-5-6-7-9(8(2)11)10(12)13-3/h9H,4-7H2,1-3H3
InChIKey SIQGUWOXOTYXHP-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES C(C(=O)OC)(C(=O)C)CCCCC
SPLASH splash10-00ko-6900000000-678778702e8b4a7e8795
Source of Spectrum I-56-2303-0
Synonyms 2-Acetylheptanoic acid methyl ester Methyl 2-acetylheptanoate Methyl 2-ethanoylheptanoate Methyl 2-pentylacetoacetate
Wiley ID 1182747