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(4aR,8aS)-4a,5,6,8a-Tetrahydro-4-hydroxymethyl-7-methylnaphthalen-2(1H)-one
SpectraBase Compound ID 5cuwqzQsXef
InChI InChI=1S/C12H16O2/c1-8-2-3-12-9(4-8)5-11(14)6-10(12)7-13/h4,6,9,12-13H,2-3,5,7H2,1H3/t9-,12-/m1/s1
InChIKey KBROFDNFFXHBDX-BXKDBHETSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vZzBPOujA
Name (4aR,8aS)-4a,5,6,8a-Tetrahydro-4-hydroxymethyl-7-methylnaphthalen-2(1H)-one
Alternate Name(s) (4aR,8aS)-4-(hydroxymethyl)-7-methyl-4a,5,6,8a-tetrahydronaphthalen-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-8-2-3-12-9(4-8)5-11(14)6-10(12)7-13/h4,6,9,12-13H,2-3,5,7H2,1H3/t9-,12-/m1/s1
InChIKey KBROFDNFFXHBDX-BXKDBHETSA-N
Literature Reference DOI 10.1002/hlca.200690025
Molecular Weight 192.258 g/mol
SMILES OCC=1[C@@]2(CCC(C)=C[C@@]2(CC(C1)=O)[H])[H]
SPLASH splash10-0536-3900000000-0cc198ce6314967bb929
Source of Spectrum H-89-236-9a
Wiley ID 1785665