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6,11[1',2']-Benzeno-1,4:5,12-dimethanonaphthacene, 1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-, (1.alpha.,4.alpha.,4a.alpha.,5.beta.,5a.alpha.,11a.alpha.,12.beta.,12 a.alpha.)-

View entire compound with spectra: 1 MS (GC)

6,11[1',2']-Benzeno-1,4:5,12-dimethanonaphthacene, 1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-, (1.alpha.,4.alpha.,4a.alpha.,5.beta.,5a.alpha.,11a.alpha.,12.beta.,12 a.alpha.)-
SpectraBase Compound ID EljVDKON2O
InChI InChI=1S/C26H26/c1-2-6-16-15(5-1)23-17-7-3-4-8-18(17)24(16)26-20-12-19(25(23)26)21-13-9-10-14(11-13)22(20)21/h1-8,13-14,19-26H,9-12H2/t13?,14?,19?,20?,21?,22?,23-,24+,25?,26?
InChIKey MIVSZJFJUCUHJW-ZOXCXOAHSA-N
Mol Weight 338.49 g/mol
Molecular Formula C26H26
Exact Mass 338.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Epz0DkfucXr
Name 6,11[1',2']-Benzeno-1,4:5,12-dimethanonaphthacene, 1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-, (1.alpha.,4.alpha.,4a.alpha.,5.beta.,5a.alpha.,11a.alpha.,12.beta.,12 a.alpha.)-
CAS Registry Number 72183-32-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26
InChI InChI=1S/C26H26/c1-2-6-16-15(5-1)23-17-7-3-4-8-18(17)24(16)26-20-12-19(25(23)26)21-13-9-10-14(11-13)22(20)21/h1-8,13-14,19-26H,9-12H2/t13?,14?,19?,20?,21?,22?,23-,24+,25?,26?
InChIKey MIVSZJFJUCUHJW-ZOXCXOAHSA-N
Molecular Weight 338.494 g/mol
SMILES [C@]12(C3C(C4CC3C3C4C4CC3CC4)[C@](c3c2cccc3)(c2c1cccc2)[H])[H]
SPLASH splash10-004i-0900000000-0b95c9f81e108db7f46f
Source of Spectrum C-102-675-0
Synonyms endo,exo,exo-1,2,3,4,4a,5,5a,6,11,11a:12,12a-dodecahydro-6,11(1',2')-benzeno-1,4:5,12-dimethanonaphthacene octacyclo[10.6.6.1(3,10).1(5,8).0(2,11).0(4,9).0(13,18).0(19,24)]hexacosa-13,15,17,19,21,23-hexaene
Wiley ID 1334271