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(4aS,8aR)-3-Hydroxymethylene-5,8a-Dimethyl-3,4,4a,7,8,8a-hexahydronaphthalen-2(1H)-one
SpectraBase Compound ID HlxLNwBGHXE
InChI InChI=1S/C13H18O2/c1-9-4-3-5-13(2)7-12(15)10(8-14)6-11(9)13/h4,8,11,14H,3,5-7H2,1-2H3/b10-8-/t11-,13+/m0/s1
InChIKey BWSSLNCBKFREPJ-RJSMLTLRSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHegTwCDdWH
Name (4aS,8aR)-3-Hydroxymethylene-5,8a-Dimethyl-3,4,4a,7,8,8a-hexahydronaphthalen-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9-4-3-5-13(2)7-12(15)10(8-14)6-11(9)13/h4,8,11,14H,3,5-7H2,1-2H3/b10-8-/t11-,13+/m0/s1
InChIKey BWSSLNCBKFREPJ-RJSMLTLRSA-N
Molecular Weight 206.285 g/mol
SMILES O\C=C\1C[C@]2(C(=CCC[C@@]2(CC1=O)C)C)[H]
SPLASH splash10-0a6u-9510000000-36d3b7b03e72f942deb3
Source of Spectrum KC-0-732-4
Synonyms (3R,4aS,8aR)-3-Hydroxymethylene-5,8a-Dimethyl-3,4,4a,7,8,8a-hexahydronaphthalen-2(1H)-one (3Z,4aR,8aR)-3-(hydroxymethylene)-5,8a-dimethyl-3,4,4a,7,8,8a-hexahydro-2(1H)-naphthalenone
Wiley ID 830099