(1S,4R,6R)-Dimethyl 9-Isopropyl-4-tert-butoxycarbonylbicyclo[4.3.0]nona-2-8-dien-7,7-dicarboxylate

SpectraBase Compound ID	AGR3gTmMq2g
InChI	InChI=1S/C21H30O6/c1-12(2)15-11-21(18(23)25-6,19(24)26-7)16-10-13(8-9-14(15)16)17(22)27-20(3,4)5/h8-9,11-14,16H,10H2,1-7H3/t13-,14+,16+/m0/s1
InChIKey	TWNGTDMWIPQPDX-SQWLQELKSA-N Google Search
Mol Weight	378.47 g/mol
Molecular Formula	C21H30O6
Exact Mass	378.204239 g/mol

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SpectraBase Spectrum ID	IBceTS21Kfw
Name	(1S,4R,6R)-Dimethyl 9-Isopropyl-4-tert-butoxycarbonylbicyclo[4.3.0]nona-2-8-dien-7,7-dicarboxylate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H30O6
InChI	InChI=1S/C21H30O6/c1-12(2)15-11-21(18(23)25-6,19(24)26-7)16-10-13(8-9-14(15)16)17(22)27-20(3,4)5/h8-9,11-14,16H,10H2,1-7H3/t13-,14+,16+/m0/s1
InChIKey	TWNGTDMWIPQPDX-SQWLQELKSA-N
Molecular Weight	378.465 g/mol
SMILES	C1([C@]2([C@@](C=C[C@](C(OC(C)(C)C)=O)(C2)[H])([H])C(=C1)C(C)C)[H])(C(=O)OC)C(=O)OC
SPLASH	splash10-08fr-0690000000-27515ddf97816536bcee
Source of Spectrum	F-68-7247-2
Synonyms	6-tert-butyl 1,1-dimethyl (3aS,6R,7aR)-3-isopropyl-3a,6,7,7a-tetrahydro-1H-indene-1,1,6-tricarboxylate Dimethyl 9-Isopropyl-4-tert-butoxycarbonylbicyclo[4.3.0]nona-2-8-dien-7,7-dicarboxylate
Wiley ID	1573418