For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cyclobuta[b]naphthalene-3,5,8(4H)-trione, 1,2,2a,3a,7a,8a-hexahydro-2a,7,7a-trimethyl-1-methylene-, (2a.alpha.,3a.beta.,7a.beta.,8a.alpha.)-
SpectraBase Compound ID Dz7L85oWjfC
InChI InChI=1S/C16H18O3/c1-8-7-15(3)12(8)14(19)16(4)9(2)5-10(17)6-11(16)13(15)18/h5,11-12H,1,6-7H2,2-4H3/t11-,12+,15+,16-/m0/s1
InChIKey RLKOIKAVZOWZIE-OJDYBEQGSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2Fsrui9vtDR
Name Cyclobuta[b]naphthalene-3,5,8(4H)-trione, 1,2,2a,3a,7a,8a-hexahydro-2a,7,7a-trimethyl-1-methylene-, (2a.alpha.,3a.beta.,7a.beta.,8a.alpha.)-
CAS Registry Number 80114-37-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-8-7-15(3)12(8)14(19)16(4)9(2)5-10(17)6-11(16)13(15)18/h5,11-12H,1,6-7H2,2-4H3/t11-,12+,15+,16-/m0/s1
InChIKey RLKOIKAVZOWZIE-OJDYBEQGSA-N
Molecular Weight 258.317 g/mol
SMILES [C@@]12([C@](C(=O)[C@@]3([C@](C2=O)(CC(C=C3C)=O)[H])C)([H])C(C1)=C)C
SPLASH splash10-00c0-8910000000-3bcde9ec87d68f5f8fb1
Source of Spectrum I-59-2670-0
Synonyms 3,8,9-Trimethyl-5-methylenetricyclo[6.4.0.0(3,6)]dodec-9-ene-2,7,11-trione
Wiley ID 1262035