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Spiro[s-indacene-2(1H),2'-[2H]indene]-4-carboxylic acid, 1',3,3',5,6,7-hexahydro-1'-oxo-
SpectraBase Compound ID GG30g1jcOJ2
InChI InChI=1S/C21H18O3/c22-19-16-6-2-1-4-13(16)9-21(19)10-14-8-12-5-3-7-15(12)18(20(23)24)17(14)11-21/h1-2,4,6,8H,3,5,7,9-11H2,(H,23,24)
InChIKey JJJOCVOYRWCBRA-UHFFFAOYSA-N
Mol Weight 318.37 g/mol
Molecular Formula C21H18O3
Exact Mass 318.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1SFEFt72NE
Name Spiro[s-indacene-2(1H),2'-[2H]indene]-4-carboxylic acid, 1',3,3',5,6,7-hexahydro-1'-oxo-
CAS Registry Number 125868-39-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O3
InChI InChI=1S/C21H18O3/c22-19-16-6-2-1-4-13(16)9-21(19)10-14-8-12-5-3-7-15(12)18(20(23)24)17(14)11-21/h1-2,4,6,8H,3,5,7,9-11H2,(H,23,24)
InChIKey JJJOCVOYRWCBRA-UHFFFAOYSA-N
Molecular Weight 318.372 g/mol
SMILES OC(c1c2CC3(C(c4ccccc4C3)=O)Cc2cc2CCCc12)=O
SPLASH splash10-0uxr-0059000000-5731113671cbdb324edc
Source of Spectrum AH-120-639-32
Synonyms 1'-ketospiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-indane]-4-carboxylic acid 1'-oxospiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-indane]-4-carboxylic acid 3-Oxidanylidenespiro[1H-indene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid 3-Oxo-4'-spiro[1H-indene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]carboxylic acid 3-Oxospiro[1H-indene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid
Wiley ID 1318892