For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Butyl-4-(methoxycarbonyl)-3-(phenyl)benzo[c]pyran
SpectraBase Compound ID BoaKTsvGaMY
InChI InChI=1S/C21H22O3/c1-3-4-14-18-16-12-8-9-13-17(16)19(21(22)23-2)20(24-18)15-10-6-5-7-11-15/h5-13,18H,3-4,14H2,1-2H3
InChIKey SZSJBCUEJCIVPA-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C21H22O3
Exact Mass 322.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2DfWpe7cXxr
Name 1-Butyl-4-(methoxycarbonyl)-3-(phenyl)benzo[c]pyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O3
InChI InChI=1S/C21H22O3/c1-3-4-14-18-16-12-8-9-13-17(16)19(21(22)23-2)20(24-18)15-10-6-5-7-11-15/h5-13,18H,3-4,14H2,1-2H3
InChIKey SZSJBCUEJCIVPA-UHFFFAOYSA-N
Molecular Weight 322.404 g/mol
SMILES C1(c2c(C(=C(O1)c1ccccc1)C(=O)OC)cccc2)CCCC
SPLASH splash10-014i-0190000000-68f5748b08bc0593dc0b
Source of Spectrum K1-2004-581-3
Synonyms Methyl 1-butyl-3-phenyl-1H-2-benzopyran-4-carboxylate 1-Butyl-3-phenyl-1H-2-benzopyran-4-carboxylic acid methyl ester Methyl 1-butyl-3-phenyl-1H-isochromene-4-carboxylate
Wiley ID 1560282