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(-)-(3S,5R)-3,5-(Isopropylidenedioxy)heptanal
SpectraBase Compound ID BW9R2I6b45w
InChI InChI=1S/C10H18O3/c1-4-8-7-9(5-6-11)13-10(2,3)12-8/h6,8-9H,4-5,7H2,1-3H3/t8-,9-/m1/s1
InChIKey KFCUQTKBTBWLFC-RKDXNWHRSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Rjw6ioeR3c
Name (-)-(3S,5R)-3,5-(Isopropylidenedioxy)heptanal
Alternate Name(s) 2-((4S,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-4-8-7-9(5-6-11)13-10(2,3)12-8/h6,8-9H,4-5,7H2,1-3H3/t8-,9-/m1/s1
InChIKey KFCUQTKBTBWLFC-RKDXNWHRSA-N
Literature Reference DOI 10.1002/hlca.19910740610
Molecular Weight 186.251 g/mol
SMILES CC1(C)O[C@](CC)(C[C@@](CC=O)(O1)[H])[H]
SPLASH splash10-0a4i-9100000000-b866b73de76dfa9bb617
Source of Spectrum H-74-1235-(3S,5R)_5
Wiley ID 1789294