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Dehydro-botrydienol

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

Dehydro-botrydienol
SpectraBase Compound ID 9TXvltLKUtu
InChI InChI=1S/C15H22O2/c1-10-5-6-12-13(11(10)7-16)15(4,9-17)8-14(12,2)3/h5-6,16-17H,7-9H2,1-4H3/t15-/m1/s1
InChIKey UQQKKLVKVVJDEX-OAHLLOKOSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChptdV588Gl
Name Dehydro-botrydienol
Alternate Name(s) [(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-indan-4-yl]methanol [(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol
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Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-10-5-6-12-13(11(10)7-16)15(4,9-17)8-14(12,2)3/h5-6,16-17H,7-9H2,1-4H3/t15-/m1/s1
InChIKey UQQKKLVKVVJDEX-OAHLLOKOSA-N
Molecular Weight 234.339 g/mol
SMILES OCc1c(ccc2c1[C@@](CO)(CC2(C)C)C)C
SPLASH splash10-000i-0900000000-f4c5e2577f3caaa6e8a4
Source of Spectrum G4-63-184-5
Wiley ID 1608213