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CACALOL

View entire compound with spectra: 1 NMR, and 2 MS (GC)

CACALOL
SpectraBase Compound ID 7gqOE2UIfl9
InChI InChI=1S/C15H18O2/c1-8-5-4-6-11-12(8)10(3)13-9(2)7-17-15(13)14(11)16/h7-8,16H,4-6H2,1-3H3
InChIKey OUFUBABGIIEJNV-UHFFFAOYSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIQRzGZeP2g
Name 3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f]benzofuran-9-ol
Alternate Name(s) Cacalol 3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-9-ol
CAS Registry Number 62212-09-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-8-5-4-6-11-12(8)10(3)13-9(2)7-17-15(13)14(11)16/h7-8,16H,4-6H2,1-3H3
InChIKey OUFUBABGIIEJNV-UHFFFAOYSA-N
Molecular Weight 230.307 g/mol
SMILES Oc1c2c(C(C)CCC2)c(c2c1occ2C)C
SPLASH splash10-014i-0090000000-8b4c88afa6f2d25fd68a
Source of Spectrum B-29-2336-0
Wiley ID 1232163