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PURPSZILBYSJEM-NWANDNLSSA-N

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

PURPSZILBYSJEM-NWANDNLSSA-N
SpectraBase Compound ID LD9vfYZFBtg
InChI InChI=1S/C15H18O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,12,14-15,17-18H,8H2,1-2H3/t12-,14+,15+/m0/s1
InChIKey PURPSZILBYSJEM-NWANDNLSSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63s5AWggd8O
Name (2R,3R,4R)-2-(3-methylbut-2-enyl)-3,4-bis(oxidanyl)-3,4-dihydro-2H-naphthalen-1-one
Alternate Name(s) (2R,3R,4R)-3,4-dihydroxy-2-(3-methylbut-2-enyl)-3,4-dihydro-2H-naphthalen-1-one (2R,3R,4R)-3,4-dihydroxy-2-(3-methylbut-2-enyl)tetralin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,12,14-15,17-18H,8H2,1-2H3/t12-,14+,15+/m0/s1
InChIKey PURPSZILBYSJEM-NWANDNLSSA-N
Molecular Weight 246.306 g/mol
SMILES O[C@@]1([C@](C(c2c([C@]1(O)[H])cccc2)=O)(CC=C(C)C)[H])[H]
SPLASH splash10-06us-0910000000-161671f7fd3d0ada22f3
Source of Spectrum G4-63-495-1
Wiley ID 1608363