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

*Links on SpectraBase are not permalinks.
Dimethyl 4,4,8,9a-tetramethyl-1,2,3,4a,5,9-hexahydro-1H-benzo[7]annulene-6,6-dicarboxylate
SpectraBase Compound ID BP4GiR55GmV
InChI InChI=1S/C19H30O4/c1-13-10-18(4)9-7-8-17(2,3)14(18)12-19(11-13,15(20)22-5)16(21)23-6/h11,14H,7-10,12H2,1-6H3/t14-,18+/m1/s1
InChIKey NEPPQSKIYKZUIS-KDOFPFPSSA-N
Mol Weight 322.45 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 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 7xO6fpniShD
Name Dimethyl 4,4,8,9a-tetramethyl-1,2,3,4a,5,9-hexahydro-1H-benzo[7]annulene-6,6-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-13-10-18(4)9-7-8-17(2,3)14(18)12-19(11-13,15(20)22-5)16(21)23-6/h11,14H,7-10,12H2,1-6H3/t14-,18+/m1/s1
InChIKey NEPPQSKIYKZUIS-KDOFPFPSSA-N
Literature Reference DOI 10.1021/ol201028f
Molecular Weight 322.445 g/mol
SMILES C1(C(=O)OC)(C[C@@]2(C(CCC[C@@]2(C)CC(C)=C1)(C)C)[H])C(OC)=O
SPLASH splash10-0v4u-4910000000-7b67831dffe072d1e776
Source of Spectrum A1-13-3320/SMS24-5b
Synonyms (4aR,9aS)-dimethyl 4,4,8,9a-tetramethyl-3,4,4a,5,9,9a-hexahydro-1H-benzo[7]annulene-6,6(2H)-dicarboxylate
Wiley ID 1753261