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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVWBs95JLAP
Name 2,2'(1H,1'H)-Spirobi-s-indacene-4-carboxylic acid, 3,3',5,5',6,6',7,7'-octahydro-, methyl ester
CAS Registry Number 117460-44-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 OC(Cc1c2c(CC3(C2)Cc2cc4CCCc4cc2C3)cc2c1CCC2)=O
SPLASH splash10-0a4i-0009000000-108df306fc7d41c39239
Source of Spectrum AH-119-642-20
Synonyms 2-{3',5',6',7',3,5,6,7-octahydro-1H,1'H-2,2'-spirobi[s-indacene]-4-yl}acetic acid 4-Carboxymethyl-2,2'-spirobis-(s-hydrindacene)
Wiley ID 1347491