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Malonic acid, 6-heptynyl-
SpectraBase Compound ID Dopru8Upi6s
InChI InChI=1S/C10H14O4/c1-2-3-4-5-6-7-8(9(11)12)10(13)14/h1,8H,3-7H2,(H,11,12)(H,13,14)
InChIKey QNTYJXVBBNVWQY-UHFFFAOYSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACvG14Ku6x2
Name Malonic acid, 6-heptynyl-
CAS Registry Number 90927-19-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-2-3-4-5-6-7-8(9(11)12)10(13)14/h1,8H,3-7H2,(H,11,12)(H,13,14)
InChIKey QNTYJXVBBNVWQY-UHFFFAOYSA-N
Molecular Weight 198.218 g/mol
SMILES OC(C(C(=O)O)CCCCCC#C)=O
SPLASH splash10-0fb9-9400000000-6bc0bf5bd93ad89aae8d
Source of Spectrum KK-63-5934-2
Synonyms 2-(6-heptynyl)malonic acid Hept-6-ynyl malonic acid
Wiley ID 1195158