| SpectraBase Compound ID | ClwX0E72fmw |
|---|---|
| InChI | InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3 |
| InChIKey | HJOVHMDZYOCNQW-UHFFFAOYSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3E8K8haL5as |
|---|---|
| Name | 2-Cyclohexen-1-one, 3,5,5-trimethyl- |
| CAS Registry Number | 78-59-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3 |
| InChIKey | HJOVHMDZYOCNQW-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | CC1(C)CC(C)=CC(C1)=O |
| SPLASH | splash10-001i-9100000000-e5926df8495fae9f3764 |
| Source of Spectrum | NP-16-9819-0 |
| Synonyms | .alpha.-Isophoron .alpha.-Isophorone 1,1,3-Trimethyl-3-cyclohexene-5-one 3,3,5-Trimethyl-2-cyclohexen-1-one 3,5,5-trimethyl-1-cyclohex-2-enone 3,5,5-Trimethyl-2-cyclohexen-1-on 3,5,5-Trimethyl-2-cyclohexen-1-one 3,5,5-Trimethyl-2-cyclohexene-1-one 3,5,5-Trimethyl-2-cyclohexenone 3,5,5-trimethylcyclohex-2-en-1-one 3,5,5-Trimethylcyclohexen-2-one-1 3,5,5-Trimetil-2-cicloesen-1-one Isoacetophorone Isoforon Isoforone Isooctopherone Isophoron Isophorone Izoforon AI3-00046 BRN 1280721 CASWELL NO. 506 CCRIS 1353 EINECS 201-126-0 EPA PESTICIDE CHEMICAL CODE 047401 FEMA NO. 3553 HSDB 619 NCI-C55618 NSC 403657 |
| Wiley ID | 1097738 |