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2H-Pyran-3-acetic acid, 3,6-dihydro-6-(2-oxopropyl)-, (3R-cis)-
SpectraBase Compound ID Hah69WhgXrI
InChI InChI=1S/C10H14O4/c1-7(11)4-9-3-2-8(6-14-9)5-10(12)13/h2-3,8-9H,4-6H2,1H3,(H,12,13)/t8-,9+/m0/s1
InChIKey NQPMAYXZFGCHSO-DTWKUNHWSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqYC6NHnhuJ
Name 2H-Pyran-3-acetic acid, 3,6-dihydro-6-(2-oxopropyl)-, (3R-cis)-
CAS Registry Number 100837-42-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-7(11)4-9-3-2-8(6-14-9)5-10(12)13/h2-3,8-9H,4-6H2,1H3,(H,12,13)/t8-,9+/m0/s1
InChIKey NQPMAYXZFGCHSO-DTWKUNHWSA-N
Molecular Weight 198.218 g/mol
SMILES OC(C[C@@]1(C=C[C@](CC(=O)C)(OC1)[H])[H])=O
SPLASH splash10-000i-0900000000-1cd7453fb2ad2f4512a7
Source of Spectrum J-53-5918-33
Synonyms [(3R,6S)-6-(2-oxopropyl)-3,6-dihydro-2H-pyran-3-yl]acetic acid [2(S)-(2-oxopropyl)-5,6-dihydro-2H-pyran-5(R)-yl]acetic acid
Wiley ID 1195242