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3-Butyl-4-(1-phenylprop-2-en-1-yl)-1H-isochromen

View entire compound with spectra: 1 MS (GC)

3-Butyl-4-(1-phenylprop-2-en-1-yl)-1H-isochromen
SpectraBase Compound ID 5JyRZKjgrxi
InChI InChI=1S/C22H24O/c1-3-5-15-21-22(19(4-2)17-11-7-6-8-12-17)20-14-10-9-13-18(20)16-23-21/h4,6-14,19H,2-3,5,15-16H2,1H3
InChIKey BXMYSPKAUGJBKN-UHFFFAOYSA-N
Mol Weight 304.43 g/mol
Molecular Formula C22H24O
Exact Mass 304.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LNDROKZNCLC
Name 3-Butyl-4-(1-phenylprop-2-en-1-yl)-1H-isochromen
Alternate Name(s) 3-Butyl-4-(1-phenylallyl)-1H-isochromene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O
InChI InChI=1S/C22H24O/c1-3-5-15-21-22(19(4-2)17-11-7-6-8-12-17)20-14-10-9-13-18(20)16-23-21/h4,6-14,19H,2-3,5,15-16H2,1H3
InChIKey BXMYSPKAUGJBKN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.201300324
Molecular Weight 304.433 g/mol
SMILES C=1(OCc2ccccc2C1C(C=C)c1ccccc1)CCCC
SPLASH splash10-0uxr-5689000000-959126631e601b5315b5
Source of Spectrum CAJ-8-1786/SM29-21b
Wiley ID 1772049