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(1S,8R,8aR) 4-oxo-8-propyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate

View entire compound with spectra: 1 MS (GC)

(1S,8R,8aR) 4-oxo-8-propyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
SpectraBase Compound ID BVrFuoFdSMo
InChI InChI=1S/C14H18O4/c1-3-5-10-6-4-7-11-12(16)8-17-14(13(10)11)18-9(2)15/h4,6-7,10,13-14H,3,5,8H2,1-2H3/t10-,13-,14+/m1/s1
InChIKey GTDVMANMOPMGTK-HONMWMINSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hc4uj10nve
Name (1S,8R,8aR) 4-oxo-8-propyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
Alternate Name(s) (1S,8R,8aR)-4-oxo-8-propyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-3-5-10-6-4-7-11-12(16)8-17-14(13(10)11)18-9(2)15/h4,6-7,10,13-14H,3,5,8H2,1-2H3/t10-,13-,14+/m1/s1
InChIKey GTDVMANMOPMGTK-HONMWMINSA-N
Literature Reference DOI 10.1021/ol301602h
Molecular Weight 250.294 g/mol
SMILES C1=C[C@]([C@@]2(C(=C1)C(CO[C@]2(OC(=O)C)[H])=O)[H])(CCC)[H]
SPLASH splash10-0002-1900000000-09ef6e55f6e60cc11486
Source of Spectrum A1-14-3740/SMS4-4c
Wiley ID 1750431