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2,3-Isopropyldioxy-4-hydroxyhept-6-ynal
SpectraBase Compound ID 5K2V7yKXTHB
InChI InChI=1S/C10H14O4/c1-4-5-7(12)9-8(6-11)13-10(2,3)14-9/h1,6-9,12H,5H2,2-3H3/t7-,8-,9-/m1/s1
InChIKey WBULUYKSAICSOR-IWSPIJDZSA-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 CGPTr0gUb9e
Name 2,3-Isopropyldioxy-4-hydroxyhept-6-ynal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-4-5-7(12)9-8(6-11)13-10(2,3)14-9/h1,6-9,12H,5H2,2-3H3/t7-,8-,9-/m1/s1
InChIKey WBULUYKSAICSOR-IWSPIJDZSA-N
Molecular Weight 198.218 g/mol
SMILES O[C@@]([C@@]1([C@](OC(O1)(C)C)(C=O)[H])[H])(CC#C)[H]
SPLASH splash10-001i-9300000000-7eb35dbcd2b89a04e30f
Source of Spectrum J-58-3588-11
Synonyms (4S,5R)-5-((R)-1-Hydroxy-but-3-ynyl)-2,2-dimethyl-[1,3]dioxolane-4-carbaldehyde 5,6,7-trideoxy-2,3-O-(1-methylethylidene)hept-6-ynose
Wiley ID 1195282