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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 3OvH0T7GApG
Name 2-HEPTANOL, ACETATE
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 158.130679818 u
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
Nominal Mass 158 u
Number of Peaks 66
SMILES C(C)(OC(C)CCCCC)=O
SPLASH splash10-0a4l-9000000000-bff3910d521b3a7a7f2c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000263