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3-(3,3-(Trimethylenedioxy)propyl)-4-methylcyclohept-3-en-1-one
SpectraBase Compound ID Hd0MaDOYUBQ
InChI InChI=1S/C14H22O3/c1-11-4-2-5-13(15)10-12(11)6-7-14-16-8-3-9-17-14/h14H,2-10H2,1H3
InChIKey HXFDMKJQMVLMEY-UHFFFAOYSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgokyRVDzCb
Name 3-(3,3-(Trimethylenedioxy)propyl)-4-methylcyclohept-3-en-1-one
Alternate Name(s) 3-[2-(1,3-dioxan-2-yl)ethyl]-4-methyl-3-cyclohepten-1-one
CAS Registry Number 136490-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-11-4-2-5-13(15)10-12(11)6-7-14-16-8-3-9-17-14/h14H,2-10H2,1H3
InChIKey HXFDMKJQMVLMEY-UHFFFAOYSA-N
Molecular Weight 238.327 g/mol
SMILES C1(=C(CCCC(C1)=O)C)CCC1OCCCO1
SPLASH splash10-01p9-6900000000-8b69b438864019e023d8
Source of Spectrum J-56-6831-4
Wiley ID 1240855