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Ethyl (1S,2S,4aR,6R,8S,8aS)-1,2,4a,5,6,7,8,8a-Octahydro-8-hydroxy-2-methyl-6-(1-oxoethyl)naphthalene-1-carboxylate
SpectraBase Compound ID 8XEKnN75T4z
InChI InChI=1S/C16H24O4/c1-4-20-16(19)14-9(2)5-6-11-7-12(10(3)17)8-13(18)15(11)14/h5-6,9,11-15,18H,4,7-8H2,1-3H3/t9-,11-,12+,13-,14-,15+/m0/s1
InChIKey NBMQRLVGCLKTJH-ILHQOTHWSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RZTGmTxU7n
Name Ethyl (1S,2S,4aR,6R,8S,8aS)-1,2,4a,5,6,7,8,8a-Octahydro-8-hydroxy-2-methyl-6-(1-oxoethyl)naphthalene-1-carboxylate
CAS Registry Number 138505-77-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-4-20-16(19)14-9(2)5-6-11-7-12(10(3)17)8-13(18)15(11)14/h5-6,9,11-15,18H,4,7-8H2,1-3H3/t9-,11-,12+,13-,14-,15+/m0/s1
InChIKey NBMQRLVGCLKTJH-ILHQOTHWSA-N
Molecular Weight 280.364 g/mol
SMILES O[C@]1(C[C@@](C[C@@]2(C=C[C@@]([C@@]([C@@]12[H])(C(=O)OCC)[H])(C)[H])[H])(C(C)=O)[H])[H]
SPLASH splash10-0002-0920000000-a01e65173f6e4a56034c
Source of Spectrum E1-35-3391-13
Synonyms Ethyl (1S,2S,4aR,6R,8S,8aS)-6-acetyl-8-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylate
Wiley ID 1574532