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acetic acid, 2-heptyl ester
SpectraBase Compound ID AoMo2yJiXiR
InChI InChI=1S/C9H18O2/c1-4-5-6-7-8(2)11-9(3)10/h8H,4-7H2,1-3H3
InChIKey VJYWBLDDQZIGJI-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Kol6vddtuw
Name 2-Heptanol, acetate
CAS Registry Number 5921-82-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-4-5-6-7-8(2)11-9(3)10/h8H,4-7H2,1-3H3
InChIKey VJYWBLDDQZIGJI-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES C(=O)(OC(CCCCC)C)C
SPLASH splash10-052f-9000000000-f7ec554d3da6c8c8ca99
Source of Spectrum XW-204-0-0
Synonyms 1-Methylhexyl acetate 2-Heptyl acetate Acetic acid 1-methylhexyl ester Acetic acid heptan-2-yl ester Heptan-2-yl acetate Heptan-2-yl ethanoate AI3-33695 EINECS 227-647-3
Wiley ID 1155489