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3-Amylphthalide

View entire compound with spectra: 2 MS (GC)

3-Amylphthalide
SpectraBase Compound ID 5a3zhWHs2pi
InChI InChI=1S/C13H16O2/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h5-8,12H,2-4,9H2,1H3
InChIKey BQUYONPOMYBMQZ-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EaBodhGVauN
Name 3-Amylphthalide
Alternate Name(s) 3-Pentyl-3H-2-benzofuran-1-one 3-Pentyl-3H-isobenzofuran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h5-8,12H,2-4,9H2,1H3
InChIKey BQUYONPOMYBMQZ-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C1(OC(CCCCC)c2c1cccc2)=O
SPLASH splash10-001i-0900000000-fbf34f5b204081ea81dc
Source of Spectrum F-53-14129-7
Wiley ID 804068