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(4aR,5R,8S,8aR)-5-methyl-8-(1-methylolvinyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
SpectraBase Compound ID CyCMQuPpU7S
InChI InChI=1S/C15H22O3/c1-9-3-5-13(10(2)8-16)14-7-11(15(17)18)4-6-12(9)14/h7,9,12-14,16H,2-6,8H2,1H3,(H,17,18)/t9-,12-,13-,14+/m1/s1
InChIKey JSCXVSJJZJIGJC-JXJLXUTGSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6y9D9J8LhAV
Name (4aR,5R,8S,8aR)-5-methyl-8-(1-methylolvinyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
Alternate Name(s) (4aR,5R,8S,8aR)-5-methyl-8-(3-oxidanylprop-1-en-2-yl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid (4aR,5R,8S,8aR)-8-(3-hydroxyprop-1-en-2-yl)-5-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid (4aR,5R,8S,8aR)-8-[1-(hydroxymethyl)vinyl]-5-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
CAS Registry Number 125574-23-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-9-3-5-13(10(2)8-16)14-7-11(15(17)18)4-6-12(9)14/h7,9,12-14,16H,2-6,8H2,1H3,(H,17,18)/t9-,12-,13-,14+/m1/s1
InChIKey JSCXVSJJZJIGJC-JXJLXUTGSA-N
Molecular Weight 250.338 g/mol
SMILES OC(C1=C[C@@]2([C@@](C(CO)=C)(CC[C@]([C@]2(CC1)[H])(C)[H])[H])[H])=O
SPLASH splash10-0a7j-2920000000-b0bc17f516c56d010fe9
Source of Spectrum F-45-6306-1
Wiley ID 1253640