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1-(Pentyl)-3,4,6,7,8,8a-hexahydro-1H-isochromene-3-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

1-(Pentyl)-3,4,6,7,8,8a-hexahydro-1H-isochromene-3-carboxylic acid methyl ester
SpectraBase Compound ID 6T4NuJxHUoj
InChI InChI=1S/C16H26O3/c1-3-4-5-10-14-13-9-7-6-8-12(13)11-15(19-14)16(17)18-2/h8,13-15H,3-7,9-11H2,1-2H3
InChIKey PNLCJMHPTXMARQ-UHFFFAOYSA-N
Mol Weight 266.38 g/mol
Molecular Formula C16H26O3
Exact Mass 266.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fv6PKPCafQF
Name 1-(Pentyl)-3,4,6,7,8,8a-hexahydro-1H-isochromene-3-carboxylic acid methyl ester
Alternate Name(s) Methyl 1-pentyl-3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O3
InChI InChI=1S/C16H26O3/c1-3-4-5-10-14-13-9-7-6-8-12(13)11-15(19-14)16(17)18-2/h8,13-15H,3-7,9-11H2,1-2H3
InChIKey PNLCJMHPTXMARQ-UHFFFAOYSA-N
Molecular Weight 266.381 g/mol
SMILES C=12CC(C(=O)OC)OC(C2CCCC1)CCCCC
SPLASH splash10-069d-2910000000-67123012152a05b67099
Source of Spectrum C5-2002-940-2
Wiley ID 1614603