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.beta.-Thujaplicinol
SpectraBase Compound ID LSU3LB9YmSS
InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)
InChIKey HVGNSPLLPQWYGC-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kvag3akT9dO
Name 2,3-bis(oxidanyl)-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one
Alternate Name(s) 2,3-Dihydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one 2,3-Dihydroxy-6-propan-2-yl-1-cyclohepta-2,4,6-trienone 2,3-Dihydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one 2,7-Dihydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one
CAS Registry Number 4356-35-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)
InChIKey HVGNSPLLPQWYGC-UHFFFAOYSA-N
Molecular Weight 180.203 g/mol
SMILES OC=1C(C=C(C=CC1O)C(C)C)=O
SPLASH splash10-0019-1900000000-b826e3d8b5dabd18e77a
Source of Spectrum B-44-705-0
Wiley ID 1176261