Spiro[bicyclo[2.2.2]octane-2,8'-[4,7]methanoisobenzofuran]-1',3'-dione, 3'a,4',7',7'a-tetrahydro-, stereoisomer

SpectraBase Compound ID	79SQdTBpUr0
InChI	InChI=1S/C16H18O3/c17-14-12-10-5-6-11(13(12)15(18)19-14)16(10)7-8-1-3-9(16)4-2-8/h5-6,8-13H,1-4,7H2/t8-,9+,10-,11+,12?,13?,16+
InChIKey	ABENKPUUQGNOFX-HSLCUVRBSA-N Google Search
Mol Weight	258.32 g/mol
Molecular Formula	C16H18O3
Exact Mass	258.125594 g/mol

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SpectraBase Spectrum ID	I0zRcO0CrlH
Name	Spiro[bicyclo[2.2.2]octane-2,8'-[4,7]methanoisobenzofuran]-1',3'-dione, 3'a,4',7',7'a-tetrahydro-, stereoisomer
Alternate Name(s)	(2S,3'aR,4'S,7'R,7'aS)-3'a,4',7',7'a-tetrahydro-1',3'-dioxospiro(bicyclo[2.2.2]octane-2,8'-[4,7]methanoisobenzofuran 4'-oxaspiro[bicyclo[2.2.2]octane-2,10'-tricyclo[5.2.1.0(2,6)]decan]-8'-ene-3',5'-dione
CAS Registry Number	93713-47-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H18O3
InChI	InChI=1S/C16H18O3/c17-14-12-10-5-6-11(13(12)15(18)19-14)16(10)7-8-1-3-9(16)4-2-8/h5-6,8-13H,1-4,7H2/t8-,9+,10-,11+,12?,13?,16+
InChIKey	ABENKPUUQGNOFX-HSLCUVRBSA-N
Molecular Weight	258.317 g/mol
SMILES	[C@]12([C@]3(C4C(OC(C4[C@@]2(C=C3)[H])=O)=O)[H])[C@]2(CC[C@@](C1)(CC2)[H])[H]
SPLASH	splash10-000i-2900000000-2aac5f14274073e2b60a
Source of Spectrum	I-65-162-18
Wiley ID	1262046