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3-Amylisochroman-1-one
SpectraBase Compound ID B2HnyqNiyaj
InChI InChI=1S/C14H18O2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14(15)16-12/h5-7,9,12H,2-4,8,10H2,1H3
InChIKey WAXJPHYGUOTCGS-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87hbiRtW4y4
Name 3-Amylisochroman-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14(15)16-12/h5-7,9,12H,2-4,8,10H2,1H3
InChIKey WAXJPHYGUOTCGS-UHFFFAOYSA-N
Molecular Weight 218.296 g/mol
SMILES C1(=O)OC(Cc2ccccc12)CCCCC
SPLASH splash10-014m-4910000000-60907506ec3ae0e66954
Source of Spectrum Y1-37-367-6
Synonyms 3-Pentyl-3,4-dihydro-1H-2-benzopyran-1-one 3-Pentyl-3,4-dihydroisochromen-1-one 3-Pentylisochroman-1-one
Wiley ID 1527387