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2-[(1R,2S)-2-(Heptylcyclopropyl]-acetic acid

View entire compound with spectra: 1 MS (GC)

2-[(1R,2S)-2-(Heptylcyclopropyl]-acetic acid
SpectraBase Compound ID JYl02O7rWcr
InChI InChI=1S/C12H22O2/c1-2-3-4-5-6-7-10-8-11(10)9-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11+/m1/s1
InChIKey WWLTWECQQBOPES-MNOVXSKESA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFGyUyuolJg
Name 2-[(1R,2S)-2-(Heptylcyclopropyl]-acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-2-3-4-5-6-7-10-8-11(10)9-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11+/m1/s1
InChIKey WWLTWECQQBOPES-MNOVXSKESA-N
Molecular Weight 198.306 g/mol
SMILES OC(C[C@@]1(C[C@]1(CCCCCCC)[H])[H])=O
SPLASH splash10-001j-9800000000-35f0215571e7fae2d62b
Source of Spectrum F5-4-329-2
Synonyms 2-[(1S,2R)-2-Heptylcyclopropyl]-acetic acid 2-((1S,2R)-2-heptylcyclopropyl)acetic acid 2-[(1S,2R)-2-heptylcyclopropyl]ethanoic acid
Wiley ID 1732663