2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, bicyclo[2.2.1]hept-5-en-2-yl ester, [1S-[1.alpha.,2.beta.(1R*,4S*),4.alpha.]]-

SpectraBase Compound ID	EmBI6hFihdm
InChI	InChI=1S/C17H22O4/c1-15(2)16(3)6-7-17(15,21-13(16)18)14(19)20-12-9-10-4-5-11(12)8-10/h4-5,10-12H,6-9H2,1-3H3/t10-,11+,12+,16?,17-/m1/s1
InChIKey	KQEACJBPWBIMDI-HUSWFNDCSA-N Google Search
Mol Weight	290.36 g/mol
Molecular Formula	C17H22O4
Exact Mass	290.151809 g/mol

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SpectraBase Spectrum ID	8o5NchUHxd
Name	2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, bicyclo[2.2.1]hept-5-en-2-yl ester, [1S-[1.alpha.,2.beta.(1R,4S),4.alpha.]]-
Alternate Name(s)	(1S,2S)-bicyclo[2.2.1]hept-5-en-2-yl(1S)-3-oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-1-carboxylate (2S)-bicyclo[2.2.1]hept-5-en-2-yl (1S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
CAS Registry Number	106618-23-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H22O4
InChI	InChI=1S/C17H22O4/c1-15(2)16(3)6-7-17(15,21-13(16)18)14(19)20-12-9-10-4-5-11(12)8-10/h4-5,10-12H,6-9H2,1-3H3/t10-,11+,12+,16?,17-/m1/s1
InChIKey	KQEACJBPWBIMDI-HUSWFNDCSA-N
Molecular Weight	290.359 g/mol
SMILES	[C@@]12(OC(=O)C(C2(C)C)(C)CC1)C(O[C@@]1([C@]2(C=C[C@@](C1)(C2)[H])[H])[H])=O
SPLASH	splash10-014i-9210000000-00e378b18151c19b2f89
Source of Spectrum	H-68-2110-27
Wiley ID	1293722