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3-n-Propyl-4-(1-pentynyl)isocoumarin
SpectraBase Compound ID Jq2gu4LnB2C
InChI InChI=1S/C17H18O2/c1-3-5-6-11-14-13-10-7-8-12-15(13)17(18)19-16(14)9-4-2/h7-8,10,12H,3-5,9H2,1-2H3
InChIKey CRKAHYDYAXTCNN-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C17H18O2
Exact Mass 254.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZHTsJWHNzp
Name 3-n-Propyl-4-(1-pentynyl)isocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O2
InChI InChI=1S/C17H18O2/c1-3-5-6-11-14-13-10-7-8-12-15(13)17(18)19-16(14)9-4-2/h7-8,10,12H,3-5,9H2,1-2H3
InChIKey CRKAHYDYAXTCNN-UHFFFAOYSA-N
Molecular Weight 254.329 g/mol
SMILES C1(=C(OC(c2c1cccc2)=O)CCC)C#CCCC
SPLASH splash10-004i-0090000000-1e3daaf586184b3a4049
Source of Spectrum J-60-3715-3
Synonyms 4-(1-pentynyl)-3-propyl-1H-2-benzopyran-1-one
Wiley ID 1258283