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(2S,4R,4aS)-4-hydroxy-3-oxooctahydro-1H-2,4a-ethanonaphthalen-7-yl benzoate
SpectraBase Compound ID CyvY9dFIoTm
InChI InChI=1S/C19H22O4/c20-16-13-6-8-19(17(16)21)9-7-15(11-14(19)10-13)23-18(22)12-4-2-1-3-5-12/h1-5,13-15,17,21H,6-11H2/t13-,14-,15?,17-,19-/m1/s1
InChIKey QASJHRLCFBIAKR-APEATWRNSA-N
Mol Weight 314.38 g/mol
Molecular Formula C19H22O4
Exact Mass 314.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BcwHV49qK
Name (2S,4R,4aS)-4-hydroxy-3-oxooctahydro-1H-2,4a-ethanonaphthalen-7-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O4
InChI InChI=1S/C19H22O4/c20-16-13-6-8-19(17(16)21)9-7-15(11-14(19)10-13)23-18(22)12-4-2-1-3-5-12/h1-5,13-15,17,21H,6-11H2/t13-,14-,15?,17-,19-/m1/s1
InChIKey QASJHRLCFBIAKR-APEATWRNSA-N
Literature Reference DOI 10.1021/ol801647h
Molecular Weight 314.381 g/mol
SMILES O[C@@]1(C([C@]2(C[C@@]3(CC(OC(=O)c4ccccc4)CC[C@@]13CC2)[H])[H])=O)[H]
SPLASH splash10-052f-4900000000-9f970b658f1491069c8d
Source of Spectrum A1-10-4465/SMS18-arb7
Wiley ID 1759830