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1H-Cyclobut[bc]acenaphthylene-1-acetic acid, 1a,2,2a,3,4,5,5a,7a,7b,7c-decahydro-5-phenyl-, (1.alpha.,1a.alpha.,2a.beta.,5.alpha.,5a.alpha.,7a.alpha.,7b.alpha.,7 c.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1H-Cyclobut[bc]acenaphthylene-1-acetic acid, 1a,2,2a,3,4,5,5a,7a,7b,7c-decahydro-5-phenyl-, (1.alpha.,1a.alpha.,2a.beta.,5.alpha.,5a.alpha.,7a.alpha.,7b.alpha.,7 c.alpha.)-(.+-.)-
SpectraBase Compound ID 7MXnpynwqrh
InChI InChI=1S/C21H24O2/c22-19-10-15-17-8-12-6-7-14(13-4-2-1-3-5-13)16-11-21(17,18(16)9-12)20(15)23-19/h1-5,12,14-18,20H,6-11H2/t12-,14-,15+,16+,17-,18-,20+,21+/m1/s1
InChIKey BUCOPPRNDSNDEE-UHFFFAOYSA-N
Mol Weight 308.42 g/mol
Molecular Formula C21H24O2
Exact Mass 308.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0l1538b7vt
Name 1H-Cyclobut[bc]acenaphthylene-1-acetic acid, 1a,2,2a,3,4,5,5a,7a,7b,7c-decahydro-5-phenyl-, (1.alpha.,1a.alpha.,2a.beta.,5.alpha.,5a.alpha.,7a.alpha.,7b.alpha.,7 c.alpha.)-(.+-.)-
CAS Registry Number 79786-31-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O2
InChI InChI=1S/C21H24O2/c22-19-10-15-17-8-12-6-7-14(13-4-2-1-3-5-13)16-11-21(17,18(16)9-12)20(15)23-19/h1-5,12,14-18,20H,6-11H2/t12-,14-,15+,16+,17-,18-,20+,21+/m1/s1
InChIKey BUCOPPRNDSNDEE-UHFFFAOYSA-N
Molecular Weight 308.421 g/mol
SMILES [C@@]123[C@]4(OC(=O)C[C@]4([C@]3(C[C@]3(CC[C@@]([C@](C1)([C@]2(C3)[H])[H])(c1ccccc1)[H])[H])[H])[H])[H]
SPLASH splash10-0udi-1902000000-3cfb036494392252d6ef
Source of Spectrum B-34-1666-0
Synonyms 12-phenyl-3-oxapentacyclo[7.5.2.0(1,7).0(2,6).0(13,15)]hexadecan-4-one 12-Phenyl-3-oxapentacyclo[7.5.2.0(2,6).0(7,15).0(13,16)]hexadecan-4-one
Wiley ID 1310313