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3(S)-Hydroxymethyl-4(S)-pentyl-.alpha.-methylene-.gamma-butyrolactone
SpectraBase Compound ID 7uIiwdX3tHG
InChI InChI=1S/C11H18O3/c1-3-4-5-6-10-9(7-12)8(2)11(13)14-10/h9-10,12H,2-7H2,1H3/t9-,10+/m1/s1
InChIKey IAKVDPBQACHUNY-ZJUUUORDSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqeqBeIh9r7
Name 3(S)-Hydroxymethyl-4(S)-pentyl-.alpha.-methylene-.gamma-butyrolactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-3-4-5-6-10-9(7-12)8(2)11(13)14-10/h9-10,12H,2-7H2,1H3/t9-,10+/m1/s1
InChIKey IAKVDPBQACHUNY-ZJUUUORDSA-N
Molecular Weight 198.262 g/mol
SMILES OC[C@@]1(C(C(O[C@]1(CCCCC)[H])=O)=C)[H]
SPLASH splash10-0002-9700000000-e7d4812ccbd83d7c2518
Source of Spectrum QC-6-890-6
Synonyms (4S,5S)-4-(hydroxymethyl)-3-methylene-5-pentyl-2-oxolanone (4S,5S)-4-(hydroxymethyl)-3-methylidene-5-pentyloxolan-2-one (4S,5S)-4-(hydroxymethyl)-3-methylene-5-pentyl-tetrahydrofuran-2-one (4S,5S)-4-(hydroxymethyl)-3-methylidene-5-pentyl-oxolan-2-one
Wiley ID 868822