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(1S,2S,4R,6S,7S)-7-Hydroxy-1-methyltricyclo[4.3.1.0(2,4)]decan-5-one
SpectraBase Compound ID KX5CzkMRrE
InChI InChI=1S/C11H16O2/c1-11-3-2-9(12)7(5-11)10(13)6-4-8(6)11/h6-9,12H,2-5H2,1H3/t6-,7+,8+,9+,11+/m1/s1
InChIKey VXCNZSBWYDTZAS-WHSYLGORSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID heq2mPmHTf
Name (1S,2S,4R,6S,7S)-7-Hydroxy-1-methyltricyclo[4.3.1.0(2,4)]decan-5-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-11-3-2-9(12)7(5-11)10(13)6-4-8(6)11/h6-9,12H,2-5H2,1H3/t6-,7+,8+,9+,11+/m1/s1
InChIKey VXCNZSBWYDTZAS-WHSYLGORSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901722
Molecular Weight 180.247 g/mol
Optical Rotation [a]D29 = -51.4 (c = 0.1, CHCl3)
Reported Formula C11H16O2
SMILES O[C@]1(CC[C@]2(C[C@@]1(C([C@]1([C@@]2(C1)[H])[H])=O)[H])C)[H]
SPLASH splash10-0ul0-0900000000-cedeb72641e2103bfbe4
Source of Spectrum U1-2020-SM4-19a
Wiley ID 1858938