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rac-9(11)-secoestra-5(10),6,8-trien-11,17.beta.-dioic acid
SpectraBase Compound ID 1mdULquIagc
InChI InChI=1S/C19H24O4/c1-19(11-17(20)21)15(8-9-16(19)18(22)23)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10,15-16H,2-5,8-9,11H2,1H3,(H,20,21)(H,22,23)/t15?,16-,19+/m1/s1
InChIKey HFHLGPMQXXJAAE-KSBCIKQNSA-N
Mol Weight 316.4 g/mol
Molecular Formula C19H24O4
Exact Mass 316.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOXWd1FahyN
Name rac-9(11)-secoestra-5(10),6,8-trien-11,17.beta.-dioic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O4
InChI InChI=1S/C19H24O4/c1-19(11-17(20)21)15(8-9-16(19)18(22)23)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10,15-16H,2-5,8-9,11H2,1H3,(H,20,21)(H,22,23)/t15?,16-,19+/m1/s1
InChIKey HFHLGPMQXXJAAE-KSBCIKQNSA-N
Molecular Weight 316.397 g/mol
SMILES OC([C@]1(CCC([C@@]1(CC(=O)O)C)c1cc2CCCCc2cc1)[H])=O
SPLASH splash10-0c00-0491000000-e5724e9c56c0cb78304e
Source of Spectrum F-32-84-2
Synonyms (1S,2S)-2-(carboxymethyl)-2-methyl-3-(5,6,7,8-tetrahydro-2-naphthalenyl)cyclopentanecarboxylic acid
Wiley ID 1316904