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2,2'(1H,1'H)-Spirobi-s-indacene-4-carboxylic acid, 3,3',5,5',6,6',7,7'-octahydro-, methyl ester
SpectraBase Compound ID KhP1XWcDEV2
InChI InChI=1S/C25H26O2/c26-24(27)10-22-21-6-2-5-17(21)9-20-13-25(14-23(20)22)11-18-7-15-3-1-4-16(15)8-19(18)12-25/h7-9H,1-6,10-14H2,(H,26,27)
InChIKey MUZBBVHLOFPKLB-UHFFFAOYSA-N
Mol Weight 358.48 g/mol
Molecular Formula C25H26O2
Exact Mass 358.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID fjIcfuQlyA
Name 2,2'(1H,1'H)-Spirobi-S-indacene-4-carboxylic acid, 3,3',5,5',6,6',7,7'-octahydro-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.193280075 u
Formula C25H26O2
InChI InChI=1S/C25H26O2/c26-24(27)10-22-21-6-2-5-17(21)9-20-13-25(14-23(20)22)11-18-7-15-3-1-4-16(15)8-19(18)12-25/h7-9H,1-6,10-14H2,(H,26,27)
InChIKey MUZBBVHLOFPKLB-UHFFFAOYSA-N
Molecular Weight 358.481 g/mol
SMILES C=1(C2=C(CC3(C2)CC=2C=C4CCCC4=CC2C3)C=C2C1CCC2)CC(=O)O