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(1S,3S,4R)-3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SpectraBase Compound ID Er9Ipp4ju1C
InChI InChI=1S/C10H16O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6,8,12H,4-5H2,1-3H3/t6-,8-,10+/m1/s1
InChIKey HJVHHNRJPMNKAK-YNEQXMIYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ziWjHomjF3
Name (1S,3S,4R)-3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6,8,12H,4-5H2,1-3H3/t6-,8-,10+/m1/s1
InChIKey HJVHHNRJPMNKAK-YNEQXMIYSA-N
Molecular Weight 168.236 g/mol
SMILES O[C@@]1(C(=O)[C@@]2(C([C@]1(CC2)C)(C)C)[H])[H]
SPLASH splash10-00lr-9500000000-177c7dd745baa16660c4
Source of Spectrum J-67-2312-4
Synonyms (1S,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanone (1S,3S,4R)-3-hydroxy-4,7,7-trimethyl-norbornan-2-one (1S,3S,4R)-4,7,7-trimethyl-3-oxidanyl-bicyclo[2.2.1]heptan-2-one
Wiley ID 1569473