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1H-Cyclobut[bc]acenaphthylene-1-acetic acid, dodecahydro-5-phenyl-, (1.alpha.,1a.alpha.,2a.beta.,5.alpha.,5a.alpha.,7a.alpha.,7b.alpha.,7 c.alpha.)-(.+-.)-
SpectraBase Compound ID H4qi2wX6aS1
InChI InChI=1S/C21H26O2/c22-19(23)11-17-16-9-8-15-14(12-4-2-1-3-5-12)7-6-13-10-18(17)21(16)20(13)15/h1-5,13-18,20-21H,6-11H2,(H,22,23)
InChIKey XQDQNSMTNITVML-UHFFFAOYSA-N
Mol Weight 310.44 g/mol
Molecular Formula C21H26O2
Exact Mass 310.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LI4Kv58f9iO
Name 1H-Cyclobut[bc]acenaphthylene-1-acetic acid, dodecahydro-5-phenyl-, (1.alpha.,1a.alpha.,2a.beta.,5.alpha.,5a.alpha.,7a.alpha.,7b.alpha.,7 c.alpha.)-(.+-.)-
Alternate Name(s) (5-phenyldodecahydro-1H-cyclobuta[bc]acenaphthylen-1-yl)acetic acid 2-(6'-Phenyltetracyclo[5.4.2.0(3,13).0(10,12)]tridec-11'-yl)acetic acid
CAS Registry Number 74635-25-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O2
InChI InChI=1S/C21H26O2/c22-19(23)11-17-16-9-8-15-14(12-4-2-1-3-5-12)7-6-13-10-18(17)21(16)20(13)15/h1-5,13-18,20-21H,6-11H2,(H,22,23)
InChIKey XQDQNSMTNITVML-UHFFFAOYSA-N
Molecular Weight 310.437 g/mol
SMILES OC(CC1C2C3C4C(C(c5ccccc5)CCC4CC13)CC2)=O
SPLASH splash10-03di-5972000000-e794ff145db1b741a265
Source of Spectrum B-34-1665-0
Wiley ID 1312031