For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Heptyne, 2,2,6-trimethyl-5-chloro-6-phenyl-
SpectraBase Compound ID DmYHDp01Cvl
InChI InChI=1S/C16H21Cl/c1-15(2,3)12-11-14(17)16(4,5)13-9-7-6-8-10-13/h6-10,14H,1-5H3
InChIKey LMWREBTXFITRJC-UHFFFAOYSA-N
Mol Weight 248.8 g/mol
Molecular Formula C16H21Cl
Exact Mass 248.133178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IfP8PZYM9dF
Name 3-Heptyne, 2,2,6-trimethyl-5-chloro-6-phenyl-
Alternate Name(s) (2-Chloro-1,1,5,5-tetramethyl-3-hexynyl)benzene (2-chloro-1,1,5,5-tetramethyl-hex-3-ynyl)benzene (3-chloranyl-2,6,6-trimethyl-hept-4-yn-2-yl)benzene (3-chloro-2,6,6-trimethylhept-4-yn-2-yl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21Cl
InChI InChI=1S/C16H21Cl/c1-15(2,3)12-11-14(17)16(4,5)13-9-7-6-8-10-13/h6-10,14H,1-5H3
InChIKey LMWREBTXFITRJC-UHFFFAOYSA-N
Molecular Weight 248.797 g/mol
SMILES C(#CC(Cl)C(c1ccccc1)(C)C)C(C)(C)C
SPLASH splash10-014l-8900000000-8023d3b4ff5f6c3107da
Source of Spectrum AD-0-2532-0
Wiley ID 1419911