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bis(3,8-dimethyl-5-propan-2-yl-1-azulenyl)methanone
SpectraBase Compound ID N7kl1PYzgc
InChI InChI=1S/C31H34O/c1-17(2)23-11-9-19(5)29-25(15-23)21(7)13-27(29)31(32)28-14-22(8)26-16-24(18(3)4)12-10-20(6)30(26)28/h9-18H,1-8H3
InChIKey QLABEAQKSHJNMN-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C31H34O
Exact Mass 422.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EW9IOCU7Xq
Name bis(3,8-dimethyl-5-propan-2-yl-1-azulenyl)methanone
CAS Registry Number 10487-58-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H34O
InChI InChI=1S/C31H34O/c1-17(2)23-11-9-19(5)29-25(15-23)21(7)13-27(29)31(32)28-14-22(8)26-16-24(18(3)4)12-10-20(6)30(26)28/h9-18H,1-8H3
InChIKey QLABEAQKSHJNMN-UHFFFAOYSA-N
Molecular Weight 422.612 g/mol
SMILES c12c(c(C(c3c4c(cc(C(C)C)ccc4C)c(c3)C)=O)cc1C)c(ccc(c2)C(C)C)C
SPLASH splash10-0aou-6901700000-ee868fb20dafc98b4572
Source of Spectrum AJ-60-1426-1
Synonyms bis(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)methanone bis(5-isopropyl-3,8-dimethyl-azulen-1-yl)methanone
Wiley ID 1378859