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2,2'(1H,1'H)-Spirobi-s-indacene-4-carboxylic acid, 4'-acetyl-3,3',5,5',6,6',7,7'-octahydro-, (.+-.)-
SpectraBase Compound ID Dp4WGDfZtvM
InChI InChI=1S/C26H26O3/c1-14(27)23-19-6-2-4-15(19)8-17-10-26(12-21(17)23)11-18-9-16-5-3-7-20(16)24(25(28)29)22(18)13-26/h8-9H,2-7,10-13H2,1H3,(H,28,29)
InChIKey BXROPVDEWARMDH-UHFFFAOYSA-N
Mol Weight 386.49 g/mol
Molecular Formula C26H26O3
Exact Mass 386.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VcNIAie6NA
Name 2,2'(1H,1'H)-Spirobi-s-indacene-4-carboxylic acid, 4'-acetyl-3,3',5,5',6,6',7,7'-octahydro-, (.+-.)-
CAS Registry Number 117460-46-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O3
InChI InChI=1S/C26H26O3/c1-14(27)23-19-6-2-4-15(19)8-17-10-26(12-21(17)23)11-18-9-16-5-3-7-20(16)24(25(28)29)22(18)13-26/h8-9H,2-7,10-13H2,1H3,(H,28,29)
InChIKey BXROPVDEWARMDH-UHFFFAOYSA-N
Molecular Weight 386.491 g/mol
SMILES OC(c1c2c(cc3CCCc13)CC1(C2)Cc2c(c3CCCc3cc2C1)C(=O)C)=O
SPLASH splash10-014i-0009000000-e814ce25cd4bffa1a257
Source of Spectrum AH-119-642-22
Synonyms 4'-Acetyl-2,2'-spirobis(s-hydrindacene)-4-carboxylic acid 4'-acetyl-3',5',6',7',3,5,6,7-octahydro-1H,1'H-2,2'-spirobi[s-indacene]-4-carboxylic acid 4-Acetyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid 4-Ethanoyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid
Wiley ID 1362944