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(1S,8aR) 4-oxo-7-phenyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
SpectraBase Compound ID 2cYgU6uxKtl
InChI InChI=1S/C17H16O4/c1-11(18)21-17-15-9-13(12-5-3-2-4-6-12)7-8-14(15)16(19)10-20-17/h2-8,15,17H,9-10H2,1H3/t15-,17+/m1/s1
InChIKey IYVQXVNQQKYTII-WBVHZDCISA-N
Mol Weight 284.31 g/mol
Molecular Formula C17H16O4
Exact Mass 284.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 352iQgX7Uxg
Name (1S,8aR) 4-oxo-7-phenyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
Alternate Name(s) (1S,8aR)-4-oxo-7-phenyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O4
InChI InChI=1S/C17H16O4/c1-11(18)21-17-15-9-13(12-5-3-2-4-6-12)7-8-14(15)16(19)10-20-17/h2-8,15,17H,9-10H2,1H3/t15-,17+/m1/s1
InChIKey IYVQXVNQQKYTII-WBVHZDCISA-N
Literature Reference DOI 10.1021/ol301602h
Molecular Weight 284.311 g/mol
SMILES C1=C(C[C@@]2(C(=C1)C(=O)CO[C@]2(OC(=O)C)[H])[H])c1ccccc1
SPLASH splash10-00tf-3930000000-908aeeb56f5254f597d9
Source of Spectrum A1-14-3740/SMS11-4q
Wiley ID 1750440