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4-Acetyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid methyl ester
SpectraBase Compound ID 2NfP3Ggv7t5
InChI InChI=1S/C27H28O3/c1-15(28)24-20-7-3-5-16(20)9-18-11-27(13-22(18)24)12-19-10-17-6-4-8-21(17)25(23(19)14-27)26(29)30-2/h9-10H,3-8,11-14H2,1-2H3
InChIKey LINCQZTYIFFOHQ-UHFFFAOYSA-N
Mol Weight 400.52 g/mol
Molecular Formula C27H28O3
Exact Mass 400.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvyWR94Ktqd
Name 4-Acetyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid methyl ester
CAS Registry Number 117460-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28O3
InChI InChI=1S/C27H28O3/c1-15(28)24-20-7-3-5-16(20)9-18-11-27(13-22(18)24)12-19-10-17-6-4-8-21(17)25(23(19)14-27)26(29)30-2/h9-10H,3-8,11-14H2,1-2H3
InChIKey LINCQZTYIFFOHQ-UHFFFAOYSA-N
Molecular Weight 400.518 g/mol
SMILES c12c(c3CCCc3cc2CC2(C1)Cc1c(c3CCCc3cc1C2)C(=O)C)C(=O)OC
SPLASH splash10-014i-0009200000-caca501860186faf24fe
Source of Spectrum AH-119-642-21
Synonyms Methyl 4-acetyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate Methyl 4-ethanoyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate
Wiley ID 1369657