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3-[(8E)-Heptadec-8-enyl]isocoumarin
SpectraBase Compound ID KQ4ZYZTQ8ip
InChI InChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-22-23-19-17-18-21-25(23)26(27)28-24/h9-10,17-19,21-22H,2-8,11-16,20H2,1H3/b10-9+
InChIKey RAAMAGRFASQATP-MDZDMXLPSA-N
Mol Weight 382.6 g/mol
Molecular Formula C26H38O2
Exact Mass 382.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HpxK5sHrVf
Name 3-[(8E)-Heptadec-8-enyl]isocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O2
InChI InChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-22-23-19-17-18-21-25(23)26(27)28-24/h9-10,17-19,21-22H,2-8,11-16,20H2,1H3/b10-9+
InChIKey RAAMAGRFASQATP-MDZDMXLPSA-N
Molecular Weight 382.588 g/mol
SMILES c1ccc2C(OC(=Cc2c1)CCCCCCC\C=C\CCCCCCCC)=O
SPLASH splash10-014i-1900000000-c8532041c7f72b0cc832
Source of Spectrum Y1-46B-1325-3b
Synonyms (E)-3-(heptadec-8-en-1-yl)-1H-isochromen-1-one 3-[(E)-heptadec-8-enyl]-2-benzopyran-1-one 3-[(E)-heptadec-8-enyl]isochromen-1-one
Wiley ID 1744508