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Cyclopentanecarboxylic acid, 4-(hydroxymethyl)-2,3,3-trimethyl-, methyl ester, [1S-(1.alpha.,2.beta.,4.beta.)]-
SpectraBase Compound ID 1pwRIZbu5KF
InChI InChI=1S/C11H20O3/c1-7-9(10(13)14-4)5-8(6-12)11(7,2)3/h7-9,12H,5-6H2,1-4H3/t7-,8-,9+/m1/s1
InChIKey YITMIRRKLRSBOQ-HLTSFMKQSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Enll1gfnUXw
Name Cyclopentanecarboxylic acid, 4-(hydroxymethyl)-2,3,3-trimethyl-, methyl ester, [1S-(1.alpha.,2.beta.,4.beta.)]-
CAS Registry Number 127255-35-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-7-9(10(13)14-4)5-8(6-12)11(7,2)3/h7-9,12H,5-6H2,1-4H3/t7-,8-,9+/m1/s1
InChIKey YITMIRRKLRSBOQ-HLTSFMKQSA-N
Molecular Weight 200.278 g/mol
SMILES OC[C@]1(C[C@@]([C@](C1(C)C)(C)[H])(C(=O)OC)[H])[H]
SPLASH splash10-01i1-2900000000-77c4d946192b36102497
Source of Spectrum J-55-4056-10
Synonyms (1S,3R,4R)-Methyl 3-(hydroxymethoxy)-4,5,5-trimethyl-cyclopanecarboxylate Methyl (1S,2R,4S)-4-(hydroxymethyl)-2,3,3-trimethylcyclopentanecarboxylate
Wiley ID 1197751