[(3aR,4S,5R,7aS)-5-(Benzoyloxy)-7-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl] - Benzoate - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	AyILezR9oDL
InChI	InChI=1S/C23H21IO6/c1-23(2)29-18-16(24)13-17(27-21(25)14-9-5-3-6-10-14)19(20(18)30-23)28-22(26)15-11-7-4-8-12-15/h3-13,17-20H,1-2H3/t17-,18-,19-,20-/m1/s1
InChIKey	AKCARQFXZHJCQM-UAFMIMERSA-N Google Search
Mol Weight	520.32 g/mol
Molecular Formula	C23H21IO6
Exact Mass	520.038283 g/mol

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SpectraBase Spectrum ID	JI2WL9p83kI
Name	[(3aR,4S,5R,7aS)-5-(Benzoyloxy)-7-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl] - Benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H21IO6
InChI	InChI=1S/C23H21IO6/c1-23(2)29-18-16(24)13-17(27-21(25)14-9-5-3-6-10-14)19(20(18)30-23)28-22(26)15-11-7-4-8-12-15/h3-13,17-20H,1-2H3/t17-,18-,19-,20-/m1/s1
InChIKey	AKCARQFXZHJCQM-UAFMIMERSA-N
Molecular Weight	520.319 g/mol
SMILES	[C@@]12([C@@](C(=C[C@]([C@]2(OC(=O)c2ccccc2)[H])(OC(=O)c2ccccc2)[H])I)(OC(O1)(C)C)[H])[H]
SPLASH	splash10-0a4i-2901000000-88dea2c5c0d570dc86a6
Source of Spectrum	F5-3-1958-9
Synonyms	[(3aS,4R,5R,7aS)-4,5-di(Benzoyloxy)-7-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl] (3aS,4R,5R,7aS)-7-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydrobenzo[d][1,3]dioxole-4,5-diyl dibenzoate
Wiley ID	1732338