(5S,7S,8S)-7,8-Diacetoxy-2-phenylbicyclo[3.3.0]oct-1-en-3-one

SpectraBase Compound ID	9wM8kl9oMeW
InChI	InChI=1S/C18H18O5/c1-10(19)22-15-9-13-8-14(21)16(12-6-4-3-5-7-12)17(13)18(15)23-11(2)20/h3-7,13,15,18H,8-9H2,1-2H3/t13-,15+,18-/m1/s1
InChIKey	WXLXULIFDDTIIO-QIIPPGSGSA-N Google Search
Mol Weight	314.34 g/mol
Molecular Formula	C18H18O5
Exact Mass	314.115424 g/mol

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SpectraBase Spectrum ID	IhRonXRyJ1C
Name	(5S,7S,8S)-7,8-Diacetoxy-2-phenylbicyclo[3.3.0]oct-1-en-3-one
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	314.115423675 u
Formula	C18H18O5
InChI	InChI=1S/C18H18O5/c1-10(19)22-15-9-13-8-14(21)16(12-6-4-3-5-7-12)17(13)18(15)23-11(2)20/h3-7,13,15,18H,8-9H2,1-2H3/t13-,15+,18-/m1/s1
InChIKey	WXLXULIFDDTIIO-QIIPPGSGSA-N
Molecular Weight	314.337 g/mol
SMILES	C=12[C@@]([C@@](OC(=O)C)(C[C@]2(CC(C1C1=CC=CC=C1)=O)[H])[H])(OC(=O)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.935251