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3-Methylheptyl acetate

View entire compound with spectra: 1 MS (GC)

3-Methylheptyl acetate
SpectraBase Compound ID DP8VEgn2OV1
InChI InChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-12-10(3)11/h9H,4-8H2,1-3H3
InChIKey SFCRZVSQIVWLKR-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uo6Q0yfln8
Name 3-Methylheptyl acetate
Alternate Name(s) 3-Methylheptyl ethanoate Acetic acid 3-methylheptyl ester
CAS Registry Number 72218-58-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-12-10(3)11/h9H,4-8H2,1-3H3
InChIKey SFCRZVSQIVWLKR-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES C(OC(=O)C)CC(CCCC)C
SPLASH splash10-052f-9000000000-4806254f15dceabc7c49
Source of Spectrum W5-1989-10220-1
Wiley ID 1169138